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CHEBI:206748 - Daedaleanic acid D

ChEBI IDCHEBI:206748
ChEBI NameDaedaleanic acid D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H44O4
Net Charge0
Average Mass480.689
Monoisotopic Mass480.32396
SMILESC=C(CC[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)C(C)C
InChIInChI=1S/C31H44O4/c1-18(2)20(5)9-11-24(29(34)35)28-27(33)17-31(8)25-13-10-21(6)22(12-14-26(32)19(3)4)23(25)15-16-30(28,31)7/h10,13,15-16,18-19,24,27-28,33H,5,9,11-12,14,17H2,1-4,6-8H3,(H,34,35)/t24-,27-,28+,30-,31+/m1/s1
InChIKeyROAFCAAVLHMLSQ-ZKBPDDLLSA-N
Species of MetaboliteComponentSourceComments
Wolfiporia cocos (ncbitaxon:81056) - PubMed (31180673)
ChEBI Ontology
Outgoing Relation(s)
Daedaleanic acid D (CHEBI:206748) 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-methyl-5-methylideneheptanoic acid