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CHEBI:213347 - [(2S,3S,6R,7S,10R)-10-hydroxy-2-[(6S,8Z,10S,11S)-11-hydroxy-6,10-dimethyltrideca-2,4,8-trien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] acetate

ChEBI IDCHEBI:213347
ChEBI Name[(2S,3S,6R,7S,10R)-10-hydroxy-2-[(6S,8Z,10S,11S)-11-hydroxy-6,10-dimethyltrideca-2,4,8-trien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O6
Net Charge0
Average Mass504.708
Monoisotopic Mass504.34509
SMILESCC[C@H](O)[C@@H](C)/C=C\C[C@H](C)C=CC=C(C)[C@H]1OC(=O)C[C@H](O)CC[C@H](C)[C@@H](OC(C)=O)C=C[C@@H]1C
InChIInChI=1S/C30H48O6/c1-8-27(33)21(3)13-9-11-20(2)12-10-14-23(5)30-24(6)16-18-28(35-25(7)31)22(4)15-17-26(32)19-29(34)36-30/h9-10,12-14,16,18,20-22,24,26-28,30,32-33H,8,11,15,17,19H2,1-7H3/b12-10?,13-9-,18-16?,23-14?/t20-,21-,22-,24-,26+,27-,28-,30+/m0/s1
InChIKeyIJLRYMBRHYOROZ-XYMWPTNKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (34094178)
ChEBI Ontology
Outgoing Relation(s)
[(2S,3S,6R,7S,10R)-10-hydroxy-2-[(6S,8Z,10S,11S)-11-hydroxy-6,10-dimethyltrideca-2,4,8-trien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] acetate (CHEBI:213347) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
[(2S,3S,6R,7S,10R)-10-hydroxy-2-[(6S,8Z,10S,11S)-11-hydroxy-6,10-dimethyltrideca-2,4,8-trien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] acetate