CHEBI:217510 - Fomitopsin D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Fomitopsin D
ChEBI ID CHEBI:217510
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H52O8
Net Charge 0
Average Mass 588.782
Monoisotopic Mass 588.36622
InChI InChI=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
InChIKey TVQUBLZAXIBVSC-IJKMCWKBSA-N
SMILES O=C(O)[C@H]([C@@H](C(=O)C[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@H](OC(=O)CC(=O)O)CC4)(C)C)CC3)C)C[C@H]2O)(C)CC1)C)C)C)C
Metabolite of Species Details
Rhodofomitopsis feei (NCBI:txid219191) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
78439383 ChemSpider
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