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CHEBI:69618 - Roseotoxin S

ChEBI IDCHEBI:69618
ChEBI NameRoseotoxin S
Stars
DefinitionA natural product found in Trichothecium species MSX 51320.
Last Modified22 September 2014
DownloadsMolfile
FormulaC23H39N3O8
Net Charge0
Average Mass485.578
Monoisotopic Mass485.27372
SMILESCC[C@H](C)[C@@H]1NC(=O)C(C(C)C)OC(=O)[C@H](C)NC(=O)[C@@H]([C@@H](C)O)NC(=O)C(C(C)C)OC1=O
InChIInChI=1S/C23H39N3O8/c1-9-12(6)15-23(32)34-18(11(4)5)21(30)26-16(14(8)27)19(28)24-13(7)22(31)33-17(10(2)3)20(29)25-15/h10-18,27H,9H2,1-8H3,(H,24,28)(H,25,29)(H,26,30)/t12-,13-,14+,15-,16+,17?,18?/m0/s1
InChIKeyPKUOXRWYQWMYQK-VWQSNCKISA-N
Species of MetaboliteComponentSourceComments
Trichothecium species MSX 51320 (ncbitaxon:1094547) - PubMed (21978324) Mycosynthetix fungal strain was isolated by Dr.Barry Katz from leaf litter
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Roseotoxin S (CHEBI:69618) has role metabolite (CHEBI:25212)
Roseotoxin S (CHEBI:69618) is a cyclodepsipeptide (CHEBI:35213)
Citations