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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:80892 - Picrasin E
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ChEBI Ontology
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ChEBI Name
Picrasin E
ChEBI ID
CHEBI:80892
Stars
This entity has been manually annotated by a third party.
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Formula
C22H30O7
Net Charge
0
Average Mass
406.46940
Monoisotopic Mass
406.19915
InChI
InChI=1S/C22H30O7/c1-
10-
6-
13(26-
5)
19(24)
20(3)
12(10)
7-
14-
21(4)
18(20)
17-
16(27-
9-
28-
17)
11(2)
22(21,25)
8-
15(23)
29-
14/h6,10-
12,14,16-
18,25H,7-
9H2,1-
5H3/t10-
,11+,12+,14-
,16+,17-
,18-
,20+,21-
,22-
/m1/s1
InChIKey
MPKJVOULXZBGDT-ATNJLCLCSA-N
SMILES
COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@@]4(O)[C@@H](C)[C@@H]5OCO[C@H]5[C@H]([C@@]2(C)C1=O)[C@@]34C
ChEBI Ontology
Outgoing
Picrasin E (
CHEBI:80892
)
is a
triterpenoid (
CHEBI:36615
)
Manual Xref
Database
C17052
KEGG COMPOUND
View more database links
Registry Number
Type
Source
33204-38-5
CAS Registry Number
KEGG COMPOUND