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CHEBI:213334 - (4R,7S,8R,11S,12S)-4,8-dihydroxy-12-[(6S,8Z,10S,11S)-11-hydroxy-6,10-dimethyltrideca-2,4,8-trien-2-yl]-7,11-dimethyl-1-oxacyclododec-9-en-2-one

ChEBI IDCHEBI:213334
ChEBI Name(4R,7S,8R,11S,12S)-4,8-dihydroxy-12-[(6S,8Z,10S,11S)-11-hydroxy-6,10-dimethyltrideca-2,4,8-trien-2-yl]-7,11-dimethyl-1-oxacyclododec-9-en-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O5
Net Charge0
Average Mass462.671
Monoisotopic Mass462.33452
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](O)C=C[C@@H]1C
InChIInChI=1S/C28H46O5/c1-7-25(30)20(3)12-8-10-19(2)11-9-13-22(5)28-23(6)15-17-26(31)21(4)14-16-24(29)18-27(32)33-28/h8-9,11-13,15,17,19-21,23-26,28-31H,7,10,14,16,18H2,1-6H3/b11-9?,12-8-,17-15?,22-13?/t19-,20-,21-,23-,24+,25-,26-,28+/m0/s1
InChIKeyBGWOHCNZOGFLGX-RNDOXKLLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (34094178)
ChEBI Ontology
Outgoing Relation(s)
(4R,7S,8R,11S,12S)-4,8-dihydroxy-12-[(6S,8Z,10S,11S)-11-hydroxy-6,10-dimethyltrideca-2,4,8-trien-2-yl]-7,11-dimethyl-1-oxacyclododec-9-en-2-one (CHEBI:213334) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(4R,7S,8R,11S,12S)-4,8-dihydroxy-12-[(6S,8Z,10S,11S)-11-hydroxy-6,10-dimethyltrideca-2,4,8-trien-2-yl]-7,11-dimethyl-1-oxacyclododec-9-en-2-one