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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:2598 - Allogibberic acid
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ChEBI Ontology
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ChEBI Name
Allogibberic acid
ChEBI ID
CHEBI:2598
Stars
This entity has been manually annotated by a third party.
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Formula
C18H20O3
Net Charge
0
Average Mass
284.350
Monoisotopic Mass
284.14124
InChI
InChI=1S/C18H20O3/c1-
10-
4-
3-
5-
12-
13-
6-
7-
18(21)
9-
17(13,8-
11(18)
2)
15(14(10)
12)
16(19)
20/h3-
5,13,15,21H,2,6-
9H2,1H3,(H,19,20)
/t13-
,15-
,17+,18+/m1/s1
InChIKey
IFYWTLQMNWNCFH-WCZJQEMASA-N
SMILES
Cc1cccc2[C@H]3CC[C@]4(O)C[C@]3(CC4=C)[C@@H](C(O)=O)c12
Roles Classification
Biological Role
(s):
xenobiotic
A xenobiotic (Greek,
xenos
"foreign";
bios
"life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
(via
fluorenes
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Allogibberic acid (
CHEBI:2598
)
is a
fluorenes (
CHEBI:24059
)
Synonym
Source
Allogibberic acid
KEGG COMPOUND
Manual Xrefs
Databases
C00003402
KNApSAcK
C09061
KEGG COMPOUND
View more database links
Registry Number
Type
Source
427-79-2
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014