COMPOUND: C10353
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Entry
C10353 Compound
Name
Nemorensine;
C(16a)-Homo-21-norsenecionan-11,16a-dione, 12,15-epoxy-1,2,15,20-tetrahydro-, (1alpha,12R,15R)-
Formula
C18H27NO5
Exact mass
337.1889
Mol weight
337.41
Structure
Mol file
KCF file
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Brite
Phytochemical compounds [BR:
br08003
]
Alkaloids
Alkaloids derived from ornithine
Pyrrolizidine alkaloids
C10353 Nemorensine
BRITE hierarchy
Other DBs
CAS:
50906-96-2
PubChem:
12539
ChEBI:
7498
KNApSAcK:
C00002102
NIKKAJI:
J53.044A
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KCF data
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ATOM 24
1 O2x O 26.7315 -16.3849
2 C1z C 27.8454 -15.6922
3 C1y C 27.4195 -14.4471
4 C1x C 25.9119 -14.3896
5 C1z C 25.4253 -15.7581
6 C1y C 26.6408 -20.4793
7 C1y C 25.4728 -19.7881
8 N1y N 26.6583 -21.5368
9 C1y C 27.8336 -19.8069
10 C1x C 24.3560 -20.9936
11 O7x O 25.4728 -18.4313
12 C1x C 25.3900 -22.1803
13 C1x C 27.9104 -22.1803
14 C1x C 28.8604 -20.9936
15 C1x C 27.8336 -18.4370
16 C7x C 24.2861 -17.7526
17 O7x O 29.0262 -17.7642
18 C1x C 24.2861 -16.3829
19 O6a O 23.0921 -18.4370
20 C7x C 29.0319 -16.3886
21 O6a O 30.2060 -15.6915
22 C1a C 29.4607 -14.6446
23 C1a C 24.4297 -14.7692
24 C1a C 28.2357 -13.2543
BOND 27
1 2 3 1
2 6 7 1
3 6 8 1
4 6 9 1
5 7 10 1
6 7 11 1 #Up
7 8 12 1
8 8 13 1
9 9 14 1
10 9 15 1 #Up
11 11 16 1
12 15 17 1
13 16 18 1
14 16 19 2
15 17 20 1
16 18 5 1
17 20 2 1
18 20 21 2
19 10 12 1
20 13 14 1
21 2 1 1
22 3 4 1
23 2 22 1 #Up
24 4 5 1
25 5 23 1 #Down
26 5 1 1
27 3 24 1
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