CHEBI:174691 - 12-Hydroxy-11-methoxy-8,11,13-abietatrien-20-oic acid

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ChEBI Name 12-Hydroxy-11-methoxy-8,11,13-abietatrien-20-oic acid
ChEBI ID CHEBI:174691
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H30O4
Net Charge 0
Average Mass 346.467
Monoisotopic Mass 346.21441
InChI InChI=1S/C21H30O4/c1-5-7-14-12-13-8-9-15-20(2,3)10-6-11-21(15,19(23)24)16(13)18(25-4)17(14)22/h12,15,22H,5-11H2,1-4H3,(H,23,24)/t15-,21+/m0/s1
InChIKey OMPKOMATCRRMCU-YCRPNKLZSA-N
SMILES OC(=O)[C@@]12[C@](C(CCC1)(C)C)(CCC=3C2=C(OC)C(O)=C(C3)CCC)[H]
ChEBI Ontology
Outgoing 12-Hydroxy-11-methoxy-8,11,13-abietatrien-20-oic acid (CHEBI:174691) is a diterpenoid (CHEBI:23849)
IUPAC Name
(4aR,10aS)-6-hydroxy-5-methoxy-1,1-dimethyl-7-propyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
Manual Xrefs Databases
30777227 ChemSpider
HMDB0038031 HMDB
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