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CHEBI:218048 - (+)-spirocochlealactone B

ChEBI IDCHEBI:218048
ChEBI Name(+)-spirocochlealactone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H42O8
Net Charge0
Average Mass614.735
Monoisotopic Mass614.28797
SMILESCC(C)=CCC/C(C)=C/CCC1=C[C@]2(OC1=O)c1cc(O)ccc1OC(=O)[C@@]2(CCC=C(C)C)CC(=O)c1cc(O)ccc1O
InChIInChI=1S/C37H42O8/c1-23(2)9-6-11-25(5)12-7-13-26-21-37(45-34(26)42)30-20-28(39)15-17-33(30)44-35(43)36(37,18-8-10-24(3)4)22-32(41)29-19-27(38)14-16-31(29)40/h9-10,12,14-17,19-21,38-40H,6-8,11,13,18,22H2,1-5H3/b25-12+/t36-,37+/m1/s1
InChIKeyVVROITPOWNOLCH-XTQWKZIOSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (29969649)
ChEBI Ontology
Outgoing Relation(s)
(+)-spirocochlealactone B (CHEBI:218048) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(3S,4S)-3-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3'-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-hydroxy-3-(4-methylpent-3-enyl)spiro[chromene-4,5'-uran]-2,2'-dione