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CHEBI:211920 - Stachyboside B

ChEBI IDCHEBI:211920
ChEBI NameStachyboside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42O11
Net Charge0
Average Mass566.644
Monoisotopic Mass566.27271
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc(CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(C=O)c1O2
InChIInChI=1S/C29H42O11/c1-13-5-6-20-27(2,3)25(37)18(33)9-28(20,4)29(13)8-15-17(32)7-14(16(10-30)24(15)40-29)12-38-26-23(36)22(35)21(34)19(11-31)39-26/h7,10,13,18-23,25-26,31-37H,5-6,8-9,11-12H2,1-4H3/t13-,18-,19-,20+,21-,22+,23-,25-,26+,28+,29-/m1/s1
InChIKeyRBPQAJXLZIGYHF-OZRGYNMPSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (24308675)
ChEBI Ontology
Outgoing Relation(s)
Stachyboside B (CHEBI:211920) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,3S,4aS,7R,8R,8aS)-2,3,4'-trihydroxy-4,4,7,8a-tetramethyl-6'-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzouran]-7'-carbaldehyde
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30771443ChemSpider