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CHEBI:210073 - Preaustinoid D

ChEBI IDCHEBI:210073
ChEBI NamePreaustinoid D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O8
Net Charge0
Average Mass492.609
Monoisotopic Mass492.27232
SMILESC=C1[C@]2(C)C[C@@H]3[C@@](C)(CCC(=O)OC)[C@H](C(C)(C)O)CC[C@@]3(C)[C@@]1(C(=O)OC)C(=O)[C@](C)(O)C2=O
InChIInChI=1S/C27H40O8/c1-15-24(5)14-17-23(4,12-11-18(28)34-8)16(22(2,3)32)10-13-25(17,6)27(15,21(31)35-9)20(30)26(7,33)19(24)29/h16-17,32-33H,1,10-14H2,2-9H3/t16-,17+,23-,24-,25+,26+,27+/m0/s1
InChIKeyJRXXIWDNTKRQEY-XEOWCUFHSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies T2-8 (ncbitaxon:1833940) - DOI (10.1016/j.phytol.2016.10.013)
ChEBI Ontology
Outgoing Relation(s)
Preaustinoid D (CHEBI:210073) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
methyl (1S,2R,5R,6R,7R,9S,11R)-11-hydroxy-5-(2-hydroxypropan-2-yl)-6-(3-methoxy-3-oxopropyl)-2,6,9,11-tetramethyl-13-methylidene-10,12-dioxotricyclo[7.3.1.02,7]tridecane-1-carboxylate
Manual XrefsDatabases
78442037ChemSpider