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CHEBI:205288 - Calbistrin E

ChEBI IDCHEBI:205288
ChEBI NameCalbistrin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H38O7
Net Charge0
Average Mass522.638
Monoisotopic Mass522.26175
SMILESCC(/C=C/C=C(\C)[C@H](O)[C@H](C)C(=O)O[C@H]1C[C@H](C)C=C2C=C[C@@]3(C)OC=CC(=O)[C@]3(C)[C@H]21)=C\C=C\C(=O)O
InChIInChI=1S/C31H38O7/c1-19(10-8-12-26(33)34)9-7-11-21(3)28(35)22(4)29(36)38-24-18-20(2)17-23-13-15-30(5)31(6,27(23)24)25(32)14-16-37-30/h7-17,20,22,24,27-28,35H,18H2,1-6H3,(H,33,34)/b9-7+,12-8+,19-10+,21-11+/t20-,22+,24+,27-,28+,30-,31-/m1/s1
InChIKeyXZKXUILQCBAMTL-CNLDLGIASA-N
Species of MetaboliteComponentSourceComments
Penicillium striatisporum (ncbitaxon:72154) - PubMed (15844954)
ChEBI Ontology
Outgoing Relation(s)
Calbistrin E (CHEBI:205288) is a organic heterotricyclic compound (CHEBI:26979)
Calbistrin E (CHEBI:205288) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2E,4E,6E,8E,10R,11S)-12-[[(4aR,8S,10S,10aS,10bR)-4a,8,10b-trimethyl-1-oxo-8,9,10,10a-tetrahydrobenzo[]chromen-10-yl]oxy]-10-hydroxy-5,9,11-trimethyl-12-oxododeca-2,4,6,8-tetraenoic acid
Manual XrefsDatabases
9607296ChemSpider