CHEBI:217515 - Fomitopsin E

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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 E
ChEBI ID CHEBI:217515
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H50O7
Net Charge 0
Average Mass 570.767
Monoisotopic Mass 570.35565
InChI InChI=1S/C34H50O7/c1-18-17-34(20(3)19(2)29(38)41-34)40-26-15-23-22(32(7)14-11-21(18)33(26,32)8)9-10-24-30(4,5)25(12-13-31(23,24)6)39-28(37)16-27(35)36/h18-21,24-26H,9-17H2,1-8H3,(H,35,36)/t18-,19+,20+,21-,24+,25-,26-,31-,32+,33+,34+/m1/s1
InChIKey CBRBLDIHLMPBCF-HIOCDSKKSA-N
SMILES O=C1O[C@]2(O[C@H]3[C@]4([C@](C=5CC[C@@H]6[C@@](C5C3)(CC[C@H](C6(C)C)OC(=O)CC(=O)O)C)(CC[C@@H]4[C@@H](C2)C)C)C)[C@H]([C@@H]1C)C
Metabolite of Species Details
Rhodofomitopsis feei (NCBI:txid219191) See: DOI
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via withanolide )
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ChEBI Ontology
Outgoing Fomitopsin E (CHEBI:217515) is a withanolide (CHEBI:74716)
IUPAC Name
3-[(1S,3'S,4'S,5R,7R,10S,13R,15S,17R,18R,21R)-1,3',4',6,6,10,17,21-octamethyl-5'-oxospiro[14-oxapentacyclo[11.7.1.02,11.05,10.018,21]henicos-2(11)-ene-15,2'-oxolane]-7-yl]oxy-3-oxopropanoic acid
Manual Xref Database
78439384 ChemSpider
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