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CHEBI:223631 - Deacetylcolobetaolactone G

ChEBI IDCHEBI:223631
ChEBI NameDeacetylcolobetaolactone G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O6
Net Charge0
Average Mass496.644
Monoisotopic Mass496.28249
SMILESCC1=CC[C@@H]([C@@H](C)[C@H]2C[C@@H](O)[C@@]3(C)C4=C(C=C5C=CC(=O)O[C@@]5(C(C)(C)O)CC4)CC[C@]23C)OC1=O
InChIInChI=1S/C30H40O6/c1-17-7-9-23(35-26(17)33)18(2)22-16-24(31)29(6)21-12-14-30(27(3,4)34)20(8-10-25(32)36-30)15-19(21)11-13-28(22,29)5/h7-8,10,15,18,22-24,31,34H,9,11-14,16H2,1-6H3/t18-,22+,23-,24+,28+,29+,30-/m0/s1
InChIKeySVHDHMUOWLYCDS-NTWWMJITSA-N
Species of MetaboliteComponentSourceComments
Tomophagusspecies (ncbitaxon:2782489) - PubMed (30983350)
ChEBI Ontology
Outgoing Relation(s)
Deacetylcolobetaolactone G (CHEBI:223631) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(8S,12R,13R,15R,16R)-13-hydroxy-8-(2-hydroxypropan-2-yl)-12,16-dimethyl-15-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-7-oxatetracyclo[9.7.0.03,8.012,16]octadeca-1(11),2,4-trien-6-one