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CHEBI:199941 - Hirsutatin B

ChEBI IDCHEBI:199941
ChEBI NameHirsutatin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H54N4O11
Net Charge0
Average Mass706.834
Monoisotopic Mass706.37891
SMILESCOc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)OC(=O)[C@H](C(C)C)OC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C2=O)cc1
InChIInChI=1S/C35H54N4O11/c1-18(2)14-26-30(42)38-28(21(7)41)32(44)37-25(17-40)34(46)50-29(20(5)6)35(47)49-27(15-19(3)4)31(43)36-24(33(45)39(26)8)16-22-10-12-23(48-9)13-11-22/h10-13,18-21,24-29,40-41H,14-17H2,1-9H3,(H,36,43)(H,37,44)(H,38,42)/t21-,24+,25+,26+,27+,28+,29+/m1/s1
InChIKeyZYONQIAFAWQOOQ-AKFJUFKASA-N
Species of MetaboliteComponentSourceComments
Hirsutella (ncbitaxon:42367) - PubMed (16309324)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Hirsutatin B (CHEBI:199941) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,9S,12S,15S,18S)-9-[(1R)-1-hydroxyethyl]-6-(hydroxymethyl)-15-[(4-methoxyphenyl)methyl]-13-methyl-12,18-bis(2-methylpropyl)-3-propan-2-yl-1,4-dioxa-7,10,13,16-tetrazacyclooctadecane-2,5,8,11,14,17-hexone
Manual XrefsDatabases
9796534ChemSpider