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CHEBI:217476 - Stachybocin F

ChEBI IDCHEBI:217476
ChEBI NameStachybocin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H70N2O8
Net Charge0
Average Mass839.127
Monoisotopic Mass838.51322
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN(CCCCCN1Cc2c(cc(O)c4c2O[C@]2(C4)[C@H](C)CC[C@H]4C(C)(C)[C@H](O)CC[C@@]42C)C1=O)C3=O
InChIInChI=1S/C51H70N2O8/c1-28-12-14-38-46(3,4)40(56)16-18-48(38,7)50(28)24-32-36(54)22-30-34(42(32)60-50)26-52(44(30)58)20-10-9-11-21-53-27-35-31(45(53)59)23-37(55)33-25-51(61-43(33)35)29(2)13-15-39-47(5,6)41(57)17-19-49(39,51)8/h22-23,28-29,38-41,54-57H,9-21,24-27H2,1-8H3/t28-,29-,38+,39+,40-,41-,48+,49+,50-,51-/m1/s1
InChIKeyZUCUFHMATKWIQI-BSYMBVDBSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (24308675)
ChEBI Ontology
Outgoing Relation(s)
Stachybocin F (CHEBI:217476) is a isoindoles (CHEBI:24897)
IUPAC Name 
(3R,4aS,7R,8R,8aS)-7'-[5-[(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrouro[2,3-e]isoindole]-7'-yl]pentyl]-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
30771441ChemSpider