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CHEBI:209980 - Niveulone

ChEBI IDCHEBI:209980
ChEBI NameNiveulone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H38O5
Net Charge0
Average Mass442.596
Monoisotopic Mass442.27192
SMILESCC1=C[C@H](O)[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]12Cc1c(c(C)c(C)oc1=O)O2
InChIInChI=1S/C27H38O5/c1-14-12-18(28)22-25(6)10-9-20(29)24(4,5)19(25)8-11-26(22,7)27(14)13-17-21(32-27)15(2)16(3)31-23(17)30/h12,18-20,22,28-29H,8-11,13H2,1-7H3/t18-,19-,20-,22+,25-,26+,27-/m0/s1
InChIKeyONXRFXAQJLPHIF-PHLXIQMUSA-N
Species of MetaboliteComponentSourceComments
Dasyscyphus (ncbitaxon:318839) - PubMed (16568719)
ChEBI Ontology
Outgoing Relation(s)
Niveulone (CHEBI:209980) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(2S,4aS,4bR,5S,8S,8aR,10aR)-2,5-dihydroxy-1,1,4a,6',7,7',8a-heptamethylspiro[2,3,4,4b,5,9,10,10a-octahydrophenanthrene-8,2'-3H-uro[3,2-c]pyran]-4'-one
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9829884ChemSpider