CHEBI:2598 - Allogibberic acid

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ChEBI Name Allogibberic acid
ChEBI ID CHEBI:2598
Stars This entity has been manually annotated by a third party.
Supplier Information
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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 )
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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
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Registry Number Type Source
427-79-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014