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CHEBI:217510 - Fomitopsin D

Default Structure
ChEBI IDCHEBI:217510
ChEBI NameFomitopsin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H52O8
Net Charge0
Average Mass588.782
Monoisotopic Mass588.36622
SMILESC[C@H](CC(=O)[C@@H](C)[C@H](C)C(=O)O)[C@H]1CC[C@@]2(C)C3=C(C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]1CC3
InChIInChI=1S/C34H52O8/c1-18(15-24(35)19(2)20(3)30(40)41)21-11-14-33(7)22-9-10-25-31(4,5)27(42-29(39)17-28(37)38)12-13-32(25,6)23(22)16-26(36)34(21,33)8/h18-21,25-27,36H,9-17H2,1-8H3,(H,37,38)(H,40,41)/t18-,19+,20+,21-,25+,26-,27-,32-,33+,34+/m1/s1
InChIKeyTVQUBLZAXIBVSC-IJKMCWKBSA-N
Species of MetaboliteComponentSourceComments
Rhodofomitopsis feei (ncbitaxon:219191) - DOI (10.1016/j.tetlet.2017.03.066)
ChEBI Ontology
Outgoing Relation(s)
Fomitopsin D (CHEBI:217510) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2S,3S,6R)-6-[(3R,5R,10S,12R,13R,14S,17R)-3-(2-carboxyacetyl)oxy-12-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethyl-4-oxoheptanoic acid
Manual XrefsDatabases
78439383ChemSpider