CHEBI:213833 - 1beta,7beta-Dihydroxydehydroabietic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 1beta,7beta-Dihydroxydehydroabietic acid
ChEBI ID CHEBI:213833
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28O4
Net Charge 0
Average Mass 332.440
Monoisotopic Mass 332.19876
InChI InChI=1S/C20H28O4/c1-11(2)12-5-6-14-13(9-12)15(21)10-16-19(3,18(23)24)8-7-17(22)20(14,16)4/h5-6,9,11,15-17,21-22H,7-8,10H2,1-4H3,(H,23,24)/t15-,16-,17+,19+,20+/m0/s1
InChIKey VBGYFFVTLRYZMI-OCBLOMHFSA-N
SMILES O=C(O)[C@]1([C@H]2[C@@](C3=C(C=C(C(C)C)C=C3)[C@H](C2)O)([C@H](O)CC1)C)C
Metabolite of Species Details
Aspergillus niger (NCBI:txid5061) See: DOI
ChEBI Ontology
Outgoing 1beta,7beta-Dihydroxydehydroabietic acid (CHEBI:213833) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1R,4R,4aS,9S,10aR)-4,9-dihydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Manual Xref Database
78441962 ChemSpider
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