COMPOUND: C05316
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Entry
C05316 Compound
Name
Dihydromacarpine;
13,14-Dihydro-5,7-dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine
Formula
C22H19NO6
Exact mass
393.1212
Mol weight
393.39
Structure
Mol file
KCF file
DB search
Reaction
R04705
R04768
Pathway
map00950
Isoquinoline alkaloid biosynthesis
map01100
Metabolic pathways
map01110
Biosynthesis of secondary metabolites
Enzyme
1.5.3.12
2.1.1.120
Brite
Phytochemical compounds [BR:
br08003
]
Alkaloids
Alkaloids derived from tyrosine
Isoquinoline alkaloids
C05316 Dihydromacarpine
BRITE hierarchy
Other DBs
CAS:
77785-12-7
PubChem:
7698
ChEBI:
18029
KNApSAcK:
C00024644
C00028198
NIKKAJI:
J613.285E
LinkDB
All DBs
KCF data
Show
ATOM 29
1 C8y C 25.3425 -20.5244
2 C8y C 24.1327 -21.2208
3 C8y C 26.5592 -21.2469
4 C8x C 25.3662 -19.1317
5 C8y C 24.1766 -22.6159
6 C8y C 22.9183 -20.5007
7 C8y C 27.7690 -20.5624
8 N1y N 26.5474 -22.6515
9 C8y C 26.5853 -18.4472
10 C1x C 25.3235 -23.3385
11 C8x C 21.6966 -21.2089
12 O2a O 22.8576 -19.1056
13 C8y C 27.7928 -19.1604
14 C8x C 28.9622 -21.2730
15 C1a C 27.7641 -23.3504
16 C1a C 21.7109 -18.4044
17 C8x C 29.0002 -18.4854
18 C8y C 30.1790 -20.5790
19 C8y C 30.2027 -19.1839
20 O2x O 31.4934 -21.0355
21 O2x O 31.5313 -18.7847
22 C1x C 32.3347 -19.9208
23 C8y C 22.8929 -23.3300
24 C8y C 21.6847 -22.6135
25 O2x O 20.6299 -23.5411
26 C1x C 21.1862 -24.8307
27 O2x O 22.5847 -24.7004
28 O2a O 26.6008 -17.0489
29 C1a C 25.3974 -16.3365
BOND 34
1 3 8 1
2 4 9 2
3 5 23 1
4 5 10 1
5 6 11 2
6 6 12 1
7 7 13 2
8 7 14 1
9 8 15 1
10 12 16 1
11 13 17 1
12 14 18 2
13 17 19 2
14 18 20 1
15 19 21 1
16 20 22 1
17 8 10 1
18 9 13 1
19 11 24 1
20 18 19 1
21 21 22 1
22 1 2 1
23 1 3 2
24 1 4 1
25 2 5 2
26 23 24 2
27 24 25 1
28 25 26 1
29 26 27 1
30 27 23 1
31 2 6 1
32 9 28 1
33 3 7 1
34 28 29 1
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