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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:7886 - Pachyrrhizone
Main
ChEBI Ontology
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ChEBI Name
Pachyrrhizone
ChEBI ID
CHEBI:7886
Stars
This entity has been manually annotated by a third party.
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Formula
C20H14O7
Net Charge
0
Average Mass
366.322
Monoisotopic Mass
366.07395
InChI
InChI=1S/C20H14O7/c1-
22-
20-
18-
9(2-
3-
23-
18)
4-
11-
17(21)
16-
10-
5-
13-
14(26-
8-
25-
13)
6-
12(10)
24-
7-
15(16)
27-
19(11)
20/h2-
6,15-
16H,7-
8H2,1H3/t15-
,16+/m1/s1
InChIKey
RZZBXVGBWLOHHV-CVEARBPZSA-N
SMILES
COc1c2O[C@@H]3COc4cc5OCOc5cc4[C@@H]3C(=O)c2cc2ccoc12
ChEBI Ontology
Outgoing
Pachyrrhizone (
CHEBI:7886
)
is a
rotenones (
CHEBI:72581
)
Synonym
Source
Pachyrrhizone
KEGG COMPOUND
Manual Xrefs
Databases
C00002556
KNApSAcK
C10512
KEGG COMPOUND
View more database links
Registry Number
Type
Source
42485-00-7
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014