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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:80889 - Picrasin A
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ChEBI Ontology
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ChEBI Name
Picrasin A
ChEBI ID
CHEBI:80889
Stars
This entity has been manually annotated by a third party.
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Formula
C26H34O8
Net Charge
0
Average Mass
474.54340
Monoisotopic Mass
474.22537
InChI
InChI=1S/C26H34O8/c1-
12-
6-
16(32-
5)
23(31)
25(3)
14(12)
8-
18-
26(4)
17(9-
20(29)
34-
18)
24(2,10-
15(27)
21(25)
26)
22(30)
13-
7-
19(28)
33-
11-
13/h6,12-
15,17-
18,21,27H,7-
11H2,1-
5H3/t12-
,13-
,14+,15-
,17+,18-
,21-
,24-
,25+,26-
/m1/s1
InChIKey
BIJFTRIMTHYJOV-QRWZCSJESA-N
SMILES
COC1=C[C@@H]
(C)
[C@@H]
2C[C@H]
3OC(=O)
C[C@H]
4[C@@]
(C)
(C[C@@H]
(O)
[C@@H]
([C@@]
34C)
[C@@]
2(C)
C1=O)
C(=O)
[C@H]
1COC(=O)
C1
ChEBI Ontology
Outgoing
Picrasin A (
CHEBI:80889
)
is a
triterpenoid (
CHEBI:36615
)
Synonym
Source
Nigakilactone G
KEGG COMPOUND
Manual Xref
Database
C17049
KEGG COMPOUND
View more database links
Registry Number
Type
Source
27368-79-2
CAS Registry Number
KEGG COMPOUND