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CHEBI:219320 - Variecolactone

ChEBI IDCHEBI:219320
ChEBI NameVariecolactone
Stars
Last Modified23 April 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O3
Net Charge0
Average Mass384.560
Monoisotopic Mass384.26645
SMILESC=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@H]4[C@@H](C)C[C@@]5(O)OC(=O)/C(=C/C[C@H]3[C@H]12)[C@@H]45
InChIInChI=1S/C25H36O3/c1-14(2)16-8-9-23(4)10-11-24(5)13-18-15(3)12-25(27)20(18)17(22(26)28-25)6-7-19(24)21(16)23/h6,15-16,18-21,27H,1,7-13H2,2-5H3/b17-6+/t15-,16+,18-,19-,20-,21-,23-,24+,25+/m0/s1
InChIKeyFHJWMBGJDFBYNQ-SSPKKXFYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus purpureus (ncbitaxon:91485) - DOI (10.1021/np9903550)
ChEBI Ontology
Outgoing Relation(s)
Variecolactone (CHEBI:219320) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(1S,3R,6S,9S,10S,11S,13E,17R,19S,20R)-17-hydroxy-3,6,19-trimethyl-9-prop-1-en-2-yl-16-oxapentacyclo[12.5.1.03,11.06,10.017,20]icos-13-en-15-one
UniProt Name  Source
variecolactoneUniProt
Manual XrefsDatabases
8244156ChemSpider