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CHEBI:217651 - Cytosporin G

ChEBI IDCHEBI:217651
ChEBI NameCytosporin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O7
Net Charge0
Average Mass396.480
Monoisotopic Mass396.21480
SMILESCC(=O)OCC1=C(C=CCCC[C@H](C)O)[C@@H](O)[C@@H]2O[C@@]23C[C@H](O)C(C)(C)O[C@@H]13
InChIInChI=1S/C21H32O7/c1-12(22)8-6-5-7-9-14-15(11-26-13(2)23)18-21(19(28-21)17(14)25)10-16(24)20(3,4)27-18/h7,9,12,16-19,22,24-25H,5-6,8,10-11H2,1-4H3/t12-,16-,17+,18-,19-,21+/m0/s1
InChIKeyBNFLHJGJMLTMHM-KPWPFJCLSA-N
Species of MetaboliteComponentSourceComments
Pseudopestalotiopsis theae (ncbitaxon:218556) - DOI (10.1016/j.tetlet.2013.10.005)
ChEBI Ontology
Outgoing Relation(s)
Cytosporin G (CHEBI:217651) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
[(1aS,2R,4aS,7S,8aR)-2,7-dihydroxy-3-[(6S)-6-hydroxyhept-1-enyl]-6,6-dimethyl-2,4a,7,8-tetrahydro-1aH-oxireno[2,3-e]chromen-4-yl]methyl acetate