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CHEBI:206788 - Daedaleanic acid E

ChEBI IDCHEBI:206788
ChEBI NameDaedaleanic acid E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O4
Net Charge0
Average Mass466.662
Monoisotopic Mass466.30831
SMILESCC(C)=CCC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)c3ccc(C)c(CCC(=O)C(C)C)c3C=C[C@]12C
InChIInChI=1S/C30H42O4/c1-18(2)9-8-10-23(28(33)34)27-26(32)17-30(7)24-13-11-20(5)21(12-14-25(31)19(3)4)22(24)15-16-29(27,30)6/h9,11,13,15-16,19,23,26-27,32H,8,10,12,14,17H2,1-7H3,(H,33,34)/t23-,26-,27+,29-,30+/m1/s1
InChIKeyCWESKBXTSSZICX-LIFZVUHLSA-N
Species of MetaboliteComponentSourceComments
Wolfiporia cocos (ncbitaxon:81056) - PubMed (31180673)
ChEBI Ontology
Outgoing Relation(s)
Daedaleanic acid E (CHEBI:206788) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(2R)-2-[(2R,3R,3aR,9bR)-2-hydroxy-3a,7,9b-trimethyl-6-(4-methyl-3-oxopentyl)-2,3-dihydro-1H-cyclopenta[a]naphthalen-3-yl]-6-methylhept-5-enoic acid