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

ChEBI IDCHEBI:213833
ChEBI Name1beta,7beta-Dihydroxydehydroabietic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESCC(C)c1ccc2c(c1)[C@@H](O)C[C@@H]1[C@]2(C)[C@H](O)CC[C@@]1(C)C(=O)O
InChIInChI=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
InChIKeyVBGYFFVTLRYZMI-OCBLOMHFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger (ncbitaxon:5061) - DOI (10.1023/b:wibi.0000023834.60165.79)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
78441962ChemSpider