EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:222987 - SCH 60065

ChEBI IDCHEBI:222987
ChEBI NameSCH 60065
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H96O12
Net Charge0
Average Mass901.317
Monoisotopic Mass900.69018
SMILESCC(C)=CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC/C(C)=C/CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C51H96O12/c1-38(2)19-12-24-46(5,56)26-14-28-48(7,58)30-16-32-50(9,60)34-18-35-51(10,61)33-17-31-49(8,59)29-15-27-47(6,57)25-13-22-39(3)20-11-21-40(4)23-36-62-45-44(55)43(54)42(53)41(37-52)63-45/h19-20,23,41-45,52-61H,11-18,21-22,24-37H2,1-10H3/b39-20+,40-23+/t41-,42-,43+,44-,45-,46?,47?,48?,49?,50?,51?/m1/s1
InChIKeyKDSDRAPFJAZCEX-BXNNAIRLSA-N
Species of MetaboliteComponentSourceComments
Acremoniumspecies (ncbitaxon:2046025) - PubMed (9510903)
ChEBI Ontology
Outgoing Relation(s)
SCH 60065 (CHEBI:222987) is a polyterpenoid (CHEBI:26207)
IUPAC Name 
(30E,34E)-2,6,10,14,18,22,26,30,34-nonamethyl-36-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexatriaconta-2,30,34-triene-6,10,14,18,22,26-hexol
Manual XrefsDatabases
8073292ChemSpider