CHEBI:62090 - germacra-1(10),4,11(13)-trien-12-ol

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ChEBI Name germacra-1(10),4,11(13)-trien-12-ol
ChEBI ID CHEBI:62090
Definition A sesquiterpenoid resulting formally from germacrane by hydroxylation at C(12) together with dehydrogenation across the C(1)‒C(10), C(4)‒C(5) and C(11)‒C(13) bonds.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C15H24O
Net Charge 0
Average Mass 220.35050
Monoisotopic Mass 220.18272
InChI InChI=1S/C15H24O/c1-12-5-4-6-13(2)8-10-15(9-7-12)14(3)11-16/h5,8,15-16H,3-4,6-7,9-11H2,1-2H3/b12-5+,13-8+/t15-/m1/s1
InChIKey NDZJCEAHBZKIDU-KGSGWQTPSA-N
SMILES C\C1=C/CC\C(C)=C\C[C@@H](CC1)C(=C)CO
ChEBI Ontology
Outgoing germacra-1(10),4,11(13)-trien-12-ol (CHEBI:62090) has parent hydride germacrene A (CHEBI:36517)
germacra-1(10),4,11(13)-trien-12-ol (CHEBI:62090) is a sesquiterpenoid (CHEBI:26658)
IUPAC Names
2-[(1R,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-en-1-ol
germacra-1(10),4,11(13)-trien-12-ol
Synonym Source
germacra-1(10),4,11(13)-trien-12-ol UniProt
Manual Xref Database
CPD-9411 MetaCyc
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Registry Number Type Source
8919367 Reaxys Registry Number Reaxys
Last Modified
20 May 2011