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CHEBI:211057 - Bistachybotrysin H

ChEBI IDCHEBI:211057
ChEBI NameBistachybotrysin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H64O10
Net Charge0
Average Mass801.030
Monoisotopic Mass800.44995
SMILESCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H](C)[C@]23Cc2c(O)cc4c(c2O3)[C@@H](O)[C@H](c2c(CO)cc(O)c3c2O[C@]2(C3)[C@H](C)CC[C@H]3C(C)(C)[C@H](O)CC[C@@]32C)C4=O)C1(C)C
InChIInChI=1S/C48H64O10/c1-23-10-12-32-43(4,5)34(53)14-16-45(32,8)47(23)20-28-30(51)18-26(22-49)36(41(28)57-47)38-39(54)27-19-31(52)29-21-48(58-42(29)37(27)40(38)55)24(2)11-13-33-44(6,7)35(56-25(3)50)15-17-46(33,48)9/h18-19,23-24,32-35,38,40,49,51-53,55H,10-17,20-22H2,1-9H3/t23-,24-,32+,33+,34-,35-,38-,40-,45+,46+,47-,48-/m1/s1
InChIKeyBCOPUCWXCWZOJI-QSKCBMBRSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (31051194)
ChEBI Ontology
Outgoing Relation(s)
Bistachybotrysin H (CHEBI:211057) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
[(2R,4aS,5R,6R,7'S,8'S,8aS)-7'-[(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-6'-(hydroxymethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzouran]-7'-yl]-4',8'-dihydroxy-1,1,4a,6-tetramethyl-6'-oxospiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-7,8-dihydro-3H-cyclopenta[g][1]benzouran]-2-yl] acetate