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CHEBI:217532 - Spiroinonotsuoxotriol A

ChEBI IDCHEBI:217532
ChEBI NameSpiroinonotsuoxotriol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H52O5
Net Charge0
Average Mass504.752
Monoisotopic Mass504.38147
SMILESCOC(C)(C)[C@@H]1CC[C@H]([C@H]2CC[C@@]3(C)C(=O)[C@]4(CC[C@]23C)[C@@H](O)C[C@H]2C(C)(C)[C@@H](O)CC[C@@]24C)[C@H]1O
InChIInChI=1S/C31H52O5/c1-26(2)21-17-23(33)31(29(21,6)14-12-22(26)32)16-15-28(5)19(11-13-30(28,7)25(31)35)18-9-10-20(24(18)34)27(3,4)36-8/h18-24,32-34H,9-17H2,1-8H3/t18-,19-,20-,21+,22+,23+,24-,28-,29+,30+,31+/m1/s1
InChIKeyWCZXFAITVITLJN-PKKSWYAWSA-N
Species of MetaboliteComponentSourceComments
Inonotus obliquus (ncbitaxon:167356) - PubMed (32285675)
ChEBI Ontology
Outgoing Relation(s)
Spiroinonotsuoxotriol A (CHEBI:217532) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1'R,2S,3S,3aS,3'aR,6S,7aR,7'aR)-2,6-dihydroxy-1'-[(1R,2R,3R)-2-hydroxy-3-(2-methoxypropan-2-yl)cyclopentyl]-3a,3'a,7,7,7'a-pentamethylspiro[1,2,4,5,6,7a-hexahydroindene-3,5'-2,3,6,7-tetrahydro-1H-indene]-4'-one