CHEBI:181886 - (1R,4aR,5S)-5-(3-hydroxy-3-methylpent-4-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

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ChEBI Name (1R,4aR,5S)-5-(3-hydroxy-3-methylpent-4-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
ChEBI ID CHEBI:181886
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H32O3
Net Charge 0
Average Mass 320.473
Monoisotopic Mass 320.23514
InChI InChI=1S/C20H32O3/c1-6-18(3,23)13-10-15-14(2)8-9-16-19(15,4)11-7-12-20(16,5)17(21)22/h6,15-16,23H,1-2,7-13H2,3-5H3,(H,21,22)/t15-,16?,18?,19+,20+/m0/s1
InChIKey LMODNMXJBXUOQF-NFSBWDCGSA-N
SMILES OC(=O)[C@]1(C2[C@@]([C@H](C(CC2)=C)CCC(O)(C)C=C)(CCC1)C)C
ChEBI Ontology
Outgoing (1R,4aR,5S)-5-(3-hydroxy-3-methylpent-4-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid (CHEBI:181886) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1R,4aR,5S)-5-(3-hydroxy-3-methylpent-4-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Manual Xref Database
22913134 ChemSpider
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