CHEBI:214804 - 7beta-ethoxycallitirisic 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 7beta-ethoxycallitirisic acid
ChEBI ID CHEBI:214804
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H32O3
Net Charge 0
Average Mass 344.495
Monoisotopic Mass 344.23514
InChI InChI=1S/C22H32O3/c1-6-25-18-13-19-21(4,10-7-11-22(19,5)20(23)24)17-9-8-15(14(2)3)12-16(17)18/h8-9,12,14,18-19H,6-7,10-11,13H2,1-5H3,(H,23,24)/t18-,19+,21+,22+/m0/s1
InChIKey XNNFKZGZYPONJD-YVNJGZBMSA-N
SMILES O=C(O)[C@]1([C@H]2[C@@](C3=C(C=C(C(C)C)C=C3)[C@H](C2)OCC)(CCC1)C)C
Metabolite of Species Details
Wolfiporia cocos (NCBI:txid81056) See: DOI
ChEBI Ontology
Outgoing 7beta-ethoxycallitirisic acid (CHEBI:214804) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1R,4aS,9S,10aR)-9-ethoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid