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CHEBI:214061 - Hebetaeltin A photoisomer C

ChEBI IDCHEBI:214061
ChEBI NameHebetaeltin A photoisomer C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O7
Net Charge0
Average Mass444.524
Monoisotopic Mass444.21480
SMILESC/C=C\C=C\c1cc(=O)c2c(o1)O[C@]1(C)CC[C@@]3(O)C(C)(C)[C@]4(O)CC[C@]3(CO4)[C@H]1[C@H]2O
InChIInChI=1S/C25H32O7/c1-5-6-7-8-15-13-16(26)17-18(27)19-22(4,32-20(17)31-15)9-11-24(28)21(2,3)25(29)12-10-23(19,24)14-30-25/h5-8,13,18-19,27-29H,9-12,14H2,1-4H3/b6-5-,8-7+/t18-,19-,22+,23-,24+,25-/m0/s1
InChIKeyLFPBILWIIIPSMS-OUEPJCAYSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1016/j.tetlet.2010.11.140)
ChEBI Ontology
Outgoing Relation(s)
Hebetaeltin A photoisomer C (CHEBI:214061) is a organic heterotricyclic compound (CHEBI:26979)
Hebetaeltin A photoisomer C (CHEBI:214061) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,2S,3R,11R,14S,16S)-3,14,16-trihydroxy-11,15,15-trimethyl-7-[(1E,3Z)-penta-1,3-dienyl]-8,10,17-trioxapentacyclo[14.2.2.01,14.02,11.04,9]icosa-4(9),6-dien-5-one