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CHEBI:207412 - Stachybonoid D

ChEBI IDCHEBI:207412
ChEBI NameStachybonoid D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O8
Net Charge0
Average Mass488.577
Monoisotopic Mass488.24102
SMILESCC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@H](C)[C@]23Cc2c(O)cc(CO)c(C=O)c2O3)C(C)(C)[C@@H]1OC(C)=O
InChIInChI=1S/C27H36O8/c1-14-7-8-22-25(4,5)24(34-16(3)31)21(33-15(2)30)11-26(22,6)27(14)10-18-20(32)9-17(12-28)19(13-29)23(18)35-27/h9,13-14,21-22,24,28,32H,7-8,10-12H2,1-6H3/t14-,21+,22+,24-,26+,27-/m1/s1
InChIKeyJGIPDQRYFPEIGH-NWBKZMJHSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - DOI (10.1039/c7ra09859f)
ChEBI Ontology
Outgoing Relation(s)
Stachybonoid D (CHEBI:207412) is a benzofurans (CHEBI:35259)
IUPAC Name 
[(2S,3S,4aS,7R,8R,8aS)-3-acetyloxy-7'-ormyl-4'-hydroxy-6'-(hydroxymethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzouran]-2-yl] acetate
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