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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:80893 - Picrasin F
Main
ChEBI Ontology
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ChEBI Name
Picrasin F
ChEBI ID
CHEBI:80893
Stars
This entity has been manually annotated by a third party.
Supplier Information
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SDF
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Formula
C22H30O8
Net Charge
0
Average Mass
422.46880
Monoisotopic Mass
422.19407
InChI
InChI=1S/C22H30O8/c1-
10-
6-
12(27-
5)
17(24)
19(2)
11(10)
7-
13-
20(3)
16(19)
15-
18(29-
9-
28-
15)
21(4,25)
22(20,26)
8-
14(23)
30-
13/h6,10-
11,13,15-
16,18,25-
26H,7-
9H2,1-
5H3/t10-
,11+,13-
,15+,16-
,18-
,19+,20-
,21-
,22+/m1/s1
InChIKey
PTNGNIZYEVURDF-FCESQLEQSA-N
SMILES
COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@@]4(O)[C@](C)(O)[C@@H]5OCO[C@H]5[C@H]([C@@]2(C)C1=O)[C@@]34C
ChEBI Ontology
Outgoing
Picrasin F (
CHEBI:80893
)
is a
triterpenoid (
CHEBI:36615
)
Manual Xref
Database
C17053
KEGG COMPOUND
View more database links