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CHEBI:217538 - Spiroinonotsuoxotriol B

ChEBI IDCHEBI:217538
ChEBI NameSpiroinonotsuoxotriol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O5
Net Charge0
Average Mass490.725
Monoisotopic Mass490.36582
SMILESCC(C)(O)[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/C30H50O5/c1-25(2)20-16-22(32)30(28(20,6)13-11-21(25)31)15-14-27(5)18(10-12-29(27,7)24(30)34)17-8-9-19(23(17)33)26(3,4)35/h17-23,31-33,35H,8-16H2,1-7H3/t17-,18-,19-,20+,21+,22+,23-,27-,28+,29+,30+/m1/s1
InChIKeyBXESVLJOKCMYCR-HKQFVFSISA-N
Species of MetaboliteComponentSourceComments
Inonotus obliquus (ncbitaxon:167356) - PubMed (32285675)
ChEBI Ontology
Outgoing Relation(s)
Spiroinonotsuoxotriol B (CHEBI:217538) 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-hydroxypropan-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