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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:5462 - Glycobismine A
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ChEBI Ontology
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ChEBI Name
Glycobismine A
ChEBI ID
CHEBI:5462
Stars
This entity has been manually annotated by a third party.
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Formula
C37H34N2O6
Net Charge
0
Average Mass
602.677
Monoisotopic Mass
602.24169
InChI
InChI=1S/C37H34N2O6/c1-
18(2)
14-
15-
21-
32-
30(34(42)
20-
11-
7-
9-
13-
24(20)
39(32)
5)
36(44)
28(35(21)
43)
22-
17-
37(3,4)
45-
26-
16-
25(40)
29-
31(27(22)
26)
38-
23-
12-
8-
6-
10-
19(23)
33(29)
41/h6-
14,16,22,40,43-
44H,15,17H2,1-
5H3,(H,38,41)
InChIKey
MFWOOIANDMHWSJ-UHFFFAOYSA-N
SMILES
CC(C)=CCc1c(O)c(C2CC(C)(C)Oc3cc(O)c4c([nH]c5ccccc5c4=O)c23)c(O)c2c1n(C)c1ccccc1c2=O
ChEBI Ontology
Outgoing
Glycobismine A (
CHEBI:5462
)
is a
neoflavonoid (
CHEBI:71971
)
Synonym
Source
Glycobismine A
KEGG COMPOUND
Manual Xrefs
Databases
C00002165
KNApSAcK
C10685
KEGG COMPOUND
View more database links
Registry Number
Type
Source
91147-20-5
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014