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CHEBI:226753 - Ganocolobetausin D

Default Structure
ChEBI IDCHEBI:226753
ChEBI NameGanocolobetausin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H48O8
Net Charge0
Average Mass584.750
Monoisotopic Mass584.33492
SMILESCC(=O)O[C@@H](CC=C(C)C(=O)O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@@H](C(C)(C)OC(C)=O)[C@]4(CCC(=O)OC4)C3=CC[C@]12C
InChIInChI=1S/C34H48O8/c1-20(30(38)39)9-11-27(41-22(3)35)21(2)24-13-16-33(8)25-10-12-28(31(5,6)42-23(4)36)34(18-15-29(37)40-19-34)26(25)14-17-32(24,33)7/h9-10,14,21,24,27-28H,11-13,15-19H2,1-8H3,(H,38,39)/t21-,24+,27-,28-,32+,33-,34-/m0/s1
InChIKeyOEPQDGZQGVNYOZ-LTOGEVMSSA-N
Species of MetaboliteComponentSourceComments
Ganoderma colossus (ncbitaxon:36070) - PubMed (32639735)
ChEBI Ontology
Outgoing Relation(s)
Ganocolobetausin D (CHEBI:226753) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(5S,6S)-6-[(3R,3aR,6R,7R,9bR)-7-(2-acetyloxypropan-2-yl)-3a,9b-dimethyl-2'-oxospiro[1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalene-6,5'-oxane]-3-yl]-5-acetyloxy-2-methylhept-2-enoic acid