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CHEBI:217405 - Aspermeroterpene A

ChEBI IDCHEBI:217405
ChEBI NameAspermeroterpene A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O10
Net Charge0
Average Mass528.554
Monoisotopic Mass528.19955
SMILESC=C1[C@@H](OC(C)=O)[C@H]2[C@]3(C)[C@H]4CC(=O)C(C)(C)[C@]43C(=O)[C@]3(O)OC4=C(C)OC(=O)[C@@]1(C)[C@]4(C(=O)OC)[C@]23C
InChIInChI=1S/C28H32O10/c1-11-16(37-13(3)29)17-24(7)14-10-15(30)22(4,5)26(14,24)19(31)28(34)25(17,8)27(21(33)35-9)18(38-28)12(2)36-20(32)23(11,27)6/h14,16-17,34H,1,10H2,2-9H3/t14-,16-,17+,23+,24+,25+,26-,27+,28+/m1/s1
InChIKeyPAKCDVHBFXPIJD-WHOXKXTJSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (32037840)
ChEBI Ontology
Outgoing Relation(s)
Aspermeroterpene A (CHEBI:217405) is a organic heterotricyclic compound (CHEBI:26979)
Aspermeroterpene A (CHEBI:217405) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
methyl (1R,3S,7R,8S,9S,10S,12R,17R,18S)-10-acetyloxy-1-hydroxy-4,4,8,12,15,18-hexamethyl-11-methylidene-2,5,13-trioxo-14,19-dioxahexacyclo[14.2.1.03,7.03,8.09,18.012,17]nonadec-15-ene-17-carboxylate
Manual XrefsDatabases
81369076ChemSpider