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CHEBI:217096 - 1-methoxy-hydropreaustinoid A1

ChEBI IDCHEBI:217096
ChEBI Name1-methoxy-hydropreaustinoid A1
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+/m1/s1
InChIKeyJRXXIWDNTKRQEY-NRVHJOQESA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies 6A-9 (ncbitaxon:1586111) - DOI (10.1002/ejoc.201701335)
ChEBI Ontology
Outgoing Relation(s)
1-methoxy-hydropreaustinoid A1 (CHEBI:217096) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
methyl (1R,2S,5S,6S,7S,9R,11S)-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
64808908ChemSpider