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CHEBI:214643 - Deformylcalbistrin A

ChEBI IDCHEBI:214643
ChEBI NameDeformylcalbistrin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O7
Net Charge0
Average Mass512.643
Monoisotopic Mass512.27740
SMILESCC(=O)[C@]1(C)[C@@H]2C(=C[C@@H](C)C[C@@H]2OC(=O)[C@@H](C)[C@@H](O)/C(C)=C/C=C/C(C)=C/C=C/C(=O)O)C=C[C@@]1(C)O
InChIInChI=1S/C30H40O7/c1-18(11-9-13-25(32)33)10-8-12-20(3)27(34)21(4)28(35)37-24-17-19(2)16-23-14-15-29(6,36)30(7,22(5)31)26(23)24/h8-16,19,21,24,26-27,34,36H,17H2,1-7H3,(H,32,33)/b10-8+,13-9+,18-11+,20-12+/t19-,21+,24+,26-,27+,29-,30-/m1/s1
InChIKeyFOSKFWGVTULUAP-IZELHUGISA-N
Species of MetaboliteComponentSourceComments
Penicillium striatisporum (ncbitaxon:72154) - PubMed (15844954)
ChEBI Ontology
Outgoing Relation(s)
Deformylcalbistrin A (CHEBI:214643) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(2E,4E,6E,8E,10R,11S)-12-[[(1S,3S,7R,8R,8aS)-8-acetyl-7-hydroxy-3,7,8-trimethyl-1,2,3,8a-tetrahydronaphthalen-1-yl]oxy]-10-hydroxy-5,9,11-trimethyl-12-oxododeca-2,4,6,8-tetraenoic acid
Manual XrefsDatabases
78440260ChemSpider