| Entry |
|
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| Name |
|
|---|
| Formula |
C44H64O24
|
|---|
| Exact mass |
976.3788
|
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| Mol weight |
976.96
|
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| Structure |
|
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| Reaction |
|
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| Pathway |
| map00999 | Biosynthesis of various plant secondary metabolites |
| map01110 | Biosynthesis of secondary metabolites |
|
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| Module |
| M00900 | Crocin biosynthesis, crocetin => crocin |
|
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| Enzyme |
|
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| Brite |
Phytochemical compounds [BR:br08003]
Terpenoids
Carotenoids and apocarotenoids
Apocarotenoids
C08589 Crocin
Secondary metabolites in pathway maps [br08011.html]
Biosynthetic pathways and modules of secondary metabolites
C08589
|
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| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 68
1 C1y C 44.7777 -14.7541
2 O2x O 43.5800 -15.4703
3 C1b C 45.9989 -15.4468
4 C1y C 44.7658 -13.3565
5 C1y C 42.3585 -14.7776
6 O2a O 47.0556 -14.5307
7 C1y C 43.5681 -12.6638
8 O1a O 45.9754 -12.6519
9 C1y C 42.3469 -13.3800
10 O7a O 41.1608 -15.4822
11 C1y C 48.2537 -13.6745
12 O1a O 43.5565 -11.2662
13 O1a O 41.1373 -12.6873
14 C7a C 41.1727 -16.8795
15 O2x O 49.4865 -14.3672
16 C1y C 48.2418 -12.2773
17 C2c C 39.9746 -17.5840
18 O6a O 42.3939 -17.5840
19 C1y C 50.6845 -13.6510
20 C1y C 49.4630 -11.5727
21 O1a O 47.0441 -11.5843
22 C2b C 38.7534 -16.8795
23 C1a C 39.9631 -18.9813
24 C1y C 50.6726 -12.2653
25 C1b C 51.8938 -14.3440
26 O1a O 49.4514 -10.1751
27 C2b C 37.5322 -17.5840
28 O1a O 51.8822 -11.5492
29 O1a O 52.9624 -13.4280
30 C2b C 36.3226 -16.8795
31 C2c C 35.1133 -17.5840
32 C2b C 33.8802 -16.8795
33 C1a C 35.1714 -18.9813
34 C2b C 32.6706 -17.5840
35 C2b C 31.4729 -16.8795
36 C2b C 30.2517 -17.5840
37 C2c C 29.0421 -16.8795
38 C2b C 27.8209 -17.5840
39 C1a C 29.0421 -15.4703
40 C2b C 26.6113 -16.8795
41 C2b C 25.3901 -17.5840
42 C2c C 24.1688 -16.8795
43 C7a C 22.9592 -17.5840
44 C1a C 24.1688 -15.4703
45 O7a O 22.9592 -18.9813
46 O6a O 21.7496 -16.8795
47 C1y C 21.7615 -19.6859
48 O2x O 20.5400 -18.9813
49 C1y C 21.7615 -21.0835
50 C1y C 19.3423 -19.6859
51 C1y C 20.5400 -21.7881
52 O1a O 22.9592 -21.7881
53 C1b C 18.1327 -18.9813
54 C1y C 19.3423 -21.0835
55 O1a O 20.5400 -23.1854
56 O2a O 17.0644 -19.8974
57 O1a O 18.1327 -21.7881
58 C1y C 15.8547 -20.7420
59 O2x O 14.6335 -20.0374
60 C1y C 15.8547 -22.1392
61 C1y C 13.4355 -20.7420
62 C1y C 14.6335 -22.8322
63 O1a O 17.0524 -22.8322
64 C1y C 13.4355 -22.1392
65 C1b C 12.2143 -20.0374
66 O1a O 14.6335 -24.2414
67 O1a O 12.2143 -22.8322
68 O1a O 11.1576 -20.9534
BOND 71
1 1 2 1
2 1 3 1 #Up
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 1 #Down
8 5 9 1
9 5 10 1 #Up
10 11 6 1 #Up
11 7 12 1 #Up
12 9 13 1 #Down
13 10 14 1
14 11 15 1
15 11 16 1
16 14 17 1
17 14 18 2
18 15 19 1
19 16 20 1
20 16 21 1 #Down
21 17 22 2
22 17 23 1
23 19 24 1
24 19 25 1 #Up
25 20 26 1 #Up
26 22 27 1
27 24 28 1 #Down
28 25 29 1
29 27 30 2
30 30 31 1
31 31 32 2
32 31 33 1
33 32 34 1
34 34 35 2
35 35 36 1
36 36 37 2
37 37 38 1
38 37 39 1
39 38 40 2
40 40 41 1
41 41 42 2
42 42 43 1
43 42 44 1
44 43 45 1
45 43 46 2
46 47 45 1 #Up
47 47 48 1
48 47 49 1
49 48 50 1
50 49 51 1
51 49 52 1 #Down
52 50 53 1 #Up
53 50 54 1
54 51 55 1 #Up
55 53 56 1
56 54 57 1 #Down
57 58 56 1 #Up
58 58 59 1
59 58 60 1
60 59 61 1
61 60 62 1
62 60 63 1 #Down
63 61 64 1
64 61 65 1 #Up
65 62 66 1 #Up
66 64 67 1 #Down
67 65 68 1
68 7 9 1
69 20 24 1
70 51 54 1
71 62 64 1
|
|---|
