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CHEBI:206050 - YW-3699

ChEBI IDCHEBI:206050
ChEBI NameYW-3699
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H52O6
Net Charge0
Average Mass556.784
Monoisotopic Mass556.37639
SMILESC=C1[C@@H]2C[C@@H]3[C@H](C(C)C)[C@@H](OC(=O)CC(C)(O)CC(C)CC)C[C@@]3(C)C[C@H]2/C(C)=C\C[C@@H]2C(C)=C(O)C(=O)[C@]12O
InChIInChI=1S/C34H52O6/c1-10-19(4)14-33(9,38)17-28(35)40-27-16-32(8)15-24-20(5)11-12-25-21(6)30(36)31(37)34(25,39)22(7)23(24)13-26(32)29(27)18(2)3/h11,18-19,23-27,29,36,38-39H,7,10,12-17H2,1-6,8-9H3/b20-11-/t19?,23-,24-,25+,26+,27-,29-,32+,33?,34-/m0/s1
InChIKeyXCBZBPKHZFIJGF-DQGJRHHQSA-N
Species of MetaboliteComponentSourceComments
Dictyochaeta simplex (ncbitaxon:139970) - DOI (10.1016/s0040-4020(98)00322-6)
ChEBI Ontology
Outgoing Relation(s)
YW-3699 (CHEBI:206050) is a scalarane sesterterpenoid (CHEBI:59370)
IUPAC Name 
[(1R,3R,7R,9Z,11R,13R,15S,16S,17R)-3,5-dihydroxy-6,10,13-trimethyl-2-methylidene-4-oxo-16-propan-2-yl-15-tetracyclo[9.7.0.03,7.013,17]octadeca-5,9-dienyl] 3-hydroxy-3,5-dimethylheptanoate
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78437857ChemSpider