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ChEBI
> Main
CHEBI:6372 - Lanceotoxin B
Main
ChEBI Ontology
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ChEBI Name
Lanceotoxin B
ChEBI ID
CHEBI:6372
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C32H44O11
Net Charge
0
Average Mass
604.686
Monoisotopic Mass
604.28836
InChI
InChI=1S/C32H44O11/c1-
17-
25(36)
26(37)
27(38)
28(41-
17)
42-
20-
6-
11-
30(16-
33)
22-
7-
10-
29(3)
21(19-
4-
5-
24(35)
40-
15-
19)
9-
13-
32(29,39)
23(22)
8-
12-
31(30,14-
20)
43-
18(2)
34/h4-
5,15-
17,20-
23,25-
28,36-
39H,6-
14H2,1-
3H3/t17-
,20-
,21+,22-
,23+,25-
,26+,27+,28-
,29+,30-
,31-
,32-
/m0/s1
InChIKey
IKNIMVNUBXHADS-YGGZPGJKSA-N
SMILES
C[C@@H]
1O[C@@H]
(O[C@H]
2CC[C@]
3(C=O)
[C@H]
4CC[C@]
5(C)
[C@H]
(CC[C@]
5(O)
[C@@H]
4CC[C@@]
3(C2)
OC(C)
=O)
c2ccc(=O)
oc2)
[C@H]
(O)
[C@H]
(O)
[C@H]
1O
ChEBI Ontology
Outgoing
Lanceotoxin B (
CHEBI:6372
)
has functional parent
bufanolide (
CHEBI:22934
)
Lanceotoxin B (
CHEBI:6372
)
is a
steroid lactone (
CHEBI:26766
)
Synonym
Source
Lanceotoxin B
KEGG COMPOUND
Manual Xrefs
Databases
C00003629
KNApSAcK
C08873
KEGG COMPOUND
View more database links
Registry Number
Type
Source
93802-98-3
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014