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CHEBI:207044 - Verruculide B2

ChEBI IDCHEBI:207044
ChEBI NameVerruculide B2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O7
Net Charge0
Average Mass448.556
Monoisotopic Mass448.24610
SMILESC/C(=C\Cc1c(O)cc(O)c2c1C[C@@H](C)OC2=O)CCC(O)[C@@]1(C)CC[C@@H](C(C)(C)O)O1
InChIInChI=1S/C25H36O7/c1-14(7-9-20(28)25(5)11-10-21(32-25)24(3,4)30)6-8-16-17-12-15(2)31-23(29)22(17)19(27)13-18(16)26/h6,13,15,20-21,26-28,30H,7-12H2,1-5H3/b14-6+/t15-,20?,21+,25-/m1/s1
InChIKeyLOGCDVOTLLOBOP-HTLCBBTNSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28212032)
ChEBI Ontology
Outgoing Relation(s)
Verruculide B2 (CHEBI:207044) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(3R)-6,8-dihydroxy-5-[(E)-6-hydroxy-6-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhex-2-enyl]-3-methyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
61708534ChemSpider