COMPOUND: C08687
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Entry
C08687 Compound
Name
Hetisine;
Hetisan-2,11,13-triol
Formula
C20H27NO3
Exact mass
329.1991
Mol weight
329.4333
Structure
Mol file
KCF file
DB search
Brite
Phytochemical compounds [BR:
br08003
]
Alkaloids
Alkaloids derived by amination reactions
Terpenoid alkaloids
C08687 Hetisine
BRITE hierarchy
Other DBs
CAS:
10089-23-3
PubChem:
10880
ChEBI:
5690
KNApSAcK:
C00001643
C00024908
C00028344
3DMET:
B05276
NIKKAJI:
J679.801B
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All DBs
KCF data
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ATOM 24
1 C1z C 26.1440 -17.4186
2 C1y C 26.2023 -16.3028
3 C1y C 27.2481 -16.7877
4 C1y C 26.1440 -18.8322
5 C1x C 25.0340 -16.7819
6 C1y C 27.6921 -16.3145
7 N1y N 24.8998 -17.7162
8 C1z C 28.3522 -17.4362
9 C1y C 27.2598 -15.5025
10 C1y C 27.2364 -19.3405
11 C1z C 25.0340 -19.3348
12 C1y C 23.9300 -17.4186
13 C1y C 28.9305 -15.9699
14 C1x C 23.7912 -20.5615
15 C1x C 28.3522 -18.7039
16 C1x C 29.4564 -16.7993
17 C1y C 28.3755 -14.8774
18 O1a O 26.0098 -14.7257
19 C1x C 23.9300 -18.6922
20 C1a C 25.9854 -21.0515
21 O1a O 22.8259 -16.7819
22 O1a O 30.7174 -16.3028
23 C2y C 29.4681 -15.5199
24 C2a C 30.7762 -14.8833
BOND 30
1 1 2 1 #Down
2 1 3 1
3 1 4 1
4 1 5 1
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 4 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 8 15 1
15 8 16 1
16 9 17 1
17 9 18 1 #Down
18 11 19 1
19 11 20 1 #Up
20 12 21 1 #Down
21 13 22 1 #Down
22 16 23 1
23 23 24 2
24 8 6 1 #Down
25 7 10 1
26 10 15 1
27 11 14 1 #Down
28 12 19 1
29 13 17 1
30 17 23 1 #Up
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