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CHEBI:66311 - rostratin B

ChEBI IDCHEBI:66311
ChEBI Namerostratin B
Stars
DefinitionAn organic disulfide isolated from the whole broth of the marine-derived fungus Exserohilum rostratum and has been shown to exhibit antineoplastic activity.
Last Modified23 April 2013
DownloadsMolfile
FormulaC18H20N2O6S2
Net Charge0
Average Mass424.500
Monoisotopic Mass424.07628
SMILES[H][C@]12C[C@@]34SS[C@]5(C[C@]6([H])C(=O)CC[C@H](O)[C@]6([H])N5C3=O)C(=O)N4[C@@]1([H])[C@@H](O)CCC2=O
InChIInChI=1S/C18H20N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h7-8,11-14,23-24H,1-6H2/t7-,8-,11+,12+,13-,14-,17-,18-/m1/s1
InChIKeyICKHXBRXCAORGF-ZJNFRVSGSA-N
Species of MetaboliteComponentSourceComments
Exserohilum rostratum (ncbitaxon:132102) - PubMed (15332857)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
rostratin B (CHEBI:66311) has role antineoplastic agent (CHEBI:35610)
rostratin B (CHEBI:66311) has role metabolite (CHEBI:25212)
rostratin B (CHEBI:66311) is a bridged compound (CHEBI:35990)
rostratin B (CHEBI:66311) is a cyclic ketone (CHEBI:3992)
rostratin B (CHEBI:66311) is a diol (CHEBI:23824)
rostratin B (CHEBI:66311) is a lactam (CHEBI:24995)
rostratin B (CHEBI:66311) is a organic disulfide (CHEBI:35489)
rostratin B (CHEBI:66311) is a organic heterohexacyclic compound (CHEBI:51914)
rostratin B (CHEBI:66311) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(4S,4aR,6aR,7aS,11S,11aR,13aR,14aS)-4,11-dihydroxydecahydro-1H,7H-6a,13a-epidithiopyrazino[1,2-a:4,5-a']diindole-1,6,8,13(7aH)-tetrone
Registry NumbersSources
Reaxys:10736174Reaxys
Citations