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CHEBI:212410 - Calbistrin F

ChEBI IDCHEBI:212410
ChEBI NameCalbistrin F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O7
Net Charge0
Average Mass492.653
Monoisotopic Mass492.30870
SMILESC/C(=C\C=C\[C@H](O)[C@@H](C)O)[C@H](O)[C@H](C)C(=O)O[C@H]1C[C@H](C)C[C@@H]2C=C[C@H](C)[C@](C)(C(=O)CCO)[C@@H]12
InChIInChI=1S/C28H44O7/c1-16-14-21-11-10-18(3)28(6,24(32)12-13-29)25(21)23(15-16)35-27(34)19(4)26(33)17(2)8-7-9-22(31)20(5)30/h7-11,16,18-23,25-26,29-31,33H,12-15H2,1-6H3/b9-7+,17-8+/t16-,18+,19+,20-,21+,22+,23+,25-,26+,28-/m1/s1
InChIKeyZGRACCPMOXYOKT-RXZQRYLVSA-N
ChEBI Ontology
Outgoing Relation(s)
Calbistrin F (CHEBI:212410) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
[(1S,3R,4aR,7S,8S,8aS)-8-(3-hydroxypropanoyl)-3,7,8-trimethyl-2,3,4,4a,7,8a-hexahydro-1H-naphthalen-1-yl] (2S,3R,4E,6E,8S,9R)-3,8,9-trihydroxy-2,4-dimethyldeca-4,6-dienoate
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