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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:5276 - Garcinol
Main
ChEBI Ontology
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ChEBI Name
Garcinol
ChEBI ID
CHEBI:5276
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C38H50O6
Net Charge
0
Average Mass
602.801
Monoisotopic Mass
602.36074
InChI
InChI=1S/C38H50O6/c1-
22(2)
11-
13-
27(25(7)
8)
20-
37-
21-
28(15-
12-
23(3)
4)
36(9,10)
38(35(37)
44,18-
17-
24(5)
6)
34(43)
31(33(37)
42)
32(41)
26-
14-
16-
29(39)
30(40)
19-
26/h11-
12,14,16-
17,19,27-
28,39-
40,42H,7,13,15,18,20-
21H2,1-
6,8-
10H3/t27-
,28+,37+,38-
/m0/s1
InChIKey
QDKLRKZQSOQWJQ-SMDXAGPFSA-N
SMILES
CC(=C)
[C@@H]
(CC=C(C)
C)
C[C@@]
12C[C@@H]
(CC=C(C)
C)
C(C)
(C)
[C@@]
(CC=C(C)
C)
(C(=O)
C(C(=O)
c3ccc(O)
c(O)
c3)
=C1O)
C2=O
ChEBI Ontology
Outgoing
Garcinol (
CHEBI:5276
)
is a
monoterpenoid (
CHEBI:25409
)
Synonym
Source
Garcinol
KEGG COMPOUND
Manual Xrefs
Databases
C00002991
KNApSAcK
C09929
KEGG COMPOUND
View more database links
Registry Number
Type
Source
78824-30-3
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014