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CHEBI:226763 - Ganocolobetausin F

Default Structure
ChEBI IDCHEBI:226763
ChEBI NameGanocolobetausin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H52O9
Net Charge0
Average Mass604.781
Monoisotopic Mass604.36113
SMILESCC(=O)OC[C@@]1(CCC(=O)O)C2=C(CC[C@H]1C(C)(C)O)[C@]1(C)CC[C@H]([C@H](C)[C@H](CC=C(C)C(=O)O)OC(C)=O)[C@@]1(C)CC2
InChIInChI=1S/C34H52O9/c1-20(30(39)40)9-11-27(43-23(4)36)21(2)24-13-16-33(8)25-10-12-28(31(5,6)41)34(18-15-29(37)38,19-42-22(3)35)26(25)14-17-32(24,33)7/h9,21,24,27-28,41H,10-19H2,1-8H3,(H,37,38)(H,39,40)/t21-,24+,27-,28-,32+,33-,34-/m0/s1
InChIKeySYYCVXBKKXKNIH-LTOGEVMSSA-N
Species of MetaboliteComponentSourceComments
Ganoderma colossus (ncbitaxon:36070) - PubMed (32639735)
ChEBI Ontology
Outgoing Relation(s)
Ganocolobetausin F (CHEBI:226763) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(5S,6S)-6-[(3R,3aR,6R,7R,9bR)-6-(acetyloxymethyl)-6-(2-carboxyethyl)-7-(2-hydroxypropan-2-yl)-3a,9b-dimethyl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-5-acetyloxy-2-methylhept-2-enoic acid