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CHEBI:220888 - Stachyboside A

ChEBI IDCHEBI:220888
ChEBI NameStachyboside A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42O10
Net Charge0
Average Mass550.645
Monoisotopic Mass550.27780
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[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/C29H42O10/c1-14-5-6-20-27(2,3)21(33)7-8-28(20,4)29(14)10-16-18(32)9-15(17(11-30)25(16)39-29)13-37-26-24(36)23(35)22(34)19(12-31)38-26/h9,11,14,19-24,26,31-36H,5-8,10,12-13H2,1-4H3/t14-,19-,20+,21-,22-,23+,24-,26+,28+,29-/m1/s1
InChIKeyYONWINSHTLCLLR-QJDZWADPSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (24308675)
ChEBI Ontology
Outgoing Relation(s)
Stachyboside A (CHEBI:220888) is a glycoside (CHEBI:24400)
IUPAC Name 
(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-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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30771442ChemSpider