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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:16470 - glyceollin
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ChEBI Ontology
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ChEBI Name
glyceollin
ChEBI ID
CHEBI:16470
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:5444, CHEBI:14332, CHEBI:24342
Supplier Information
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Formula
C20H18O5
Net Charge
0
Average Mass
338.35392
Monoisotopic Mass
338.11542
InChI
InChI=1S/C20H18O5/c1-
19(2)
8-
7-
12-
15(25-
19)
6-
4-
13-
17(12)
23-
10-
20(22)
14-
5-
3-
11(21)
9-
16(14)
24-
18(13)
20/h3-
9,18,21-
22H,10H2,1-
2H3/t18-
,20+/m0/s1
InChIKey
YIFYYPKWOQSCRI-AZUAARDMSA-N
SMILES
[H][C@@]12Oc3cc(O)ccc3[C@]1(O)COc1c3C=CC(C)(C)Oc3ccc21
ChEBI Ontology
Outgoing
glyceollin (
CHEBI:16470
)
is a
organic heteropentacyclic compound (
CHEBI:38164
)
IUPAC Name
(6a
S
,11a
S
)-
2,2-
dimethyl-
2
H
,6
H
-
[1]benzofuro[3,2-
c
]pyrano[2,3-
h
]chromene-
6a,9(11a
H
)-
diol
Synonyms
Sources
(-)-Glyceollin I
KEGG COMPOUND
Glyceollin
KEGG COMPOUND
Glyceollin
KEGG COMPOUND
glyceollin I
UniProt
Manual Xrefs
Databases
C00002530
KNApSAcK
C01701
KEGG COMPOUND
C15601
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
57103-57-8
CAS Registry Number
KEGG COMPOUND
66241-09-6
CAS Registry Number
KEGG COMPOUND
Last Modified
18 October 2017