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CHEBI:200009 - Stachyin B

ChEBI IDCHEBI:200009
ChEBI NameStachyin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H61NO8
Net Charge0
Average Mass755.993
Monoisotopic Mass755.43972
SMILESC[C@H]1CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@]12Cc1c(O)cc3c(c1O2)CN(C1OCc2cc(O)c4c(c21)O[C@@]1(C4)[C@@H](C)CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]21C)C3=O
InChIInChI=1S/C46H61NO8/c1-23-9-11-32-41(3,4)34(50)13-15-43(32,7)45(23)19-27-31(49)18-26-29(37(27)54-45)21-47(39(26)52)40-36-25(22-53-40)17-30(48)28-20-46(55-38(28)36)24(2)10-12-33-42(5,6)35(51)14-16-44(33,46)8/h17-18,23-24,32-35,40,48-51H,9-16,19-22H2,1-8H3/t23-,24-,32+,33+,34-,35-,40?,43+,44+,45-,46-/m0/s1
InChIKeyRODRJIUSPKYRGQ-YYVXPHEGSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (24694571)
ChEBI Ontology
Outgoing Relation(s)
Stachyin B (CHEBI:200009) is a isoindoles (CHEBI:24897)
IUPAC Name 
(3S,4aR,7S,8S,8aR)-7'-[(3S,4aR,7S,8S,8aR)-3,4'-dihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-6,8-dihydro-3H-uro[3,4-g][1]benzouran]-8'-yl]-3,4'-dihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-6'-one
Manual XrefsDatabases
32674984ChemSpider