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CHEBI:202467 - Metacridamide B

ChEBI IDCHEBI:202467
ChEBI NameMetacridamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H53NO5
Net Charge0
Average Mass567.811
Monoisotopic Mass567.39237
SMILESCC[C@H](C)C[C@H](C)[C@H]1OC(=O)[C@H](Cc2ccccc2)NC(=O)/C(C)=C/[C@H](C)[C@@H](O)/C(C)=C/[C@H](C)[C@H](O)/C(C)=C/[C@@H]1C
InChIInChI=1S/C35H53NO5/c1-10-21(2)16-26(7)33-27(8)18-24(5)31(37)22(3)17-23(4)32(38)25(6)19-28(9)34(39)36-30(35(40)41-33)20-29-14-12-11-13-15-29/h11-15,17-19,21-22,25-27,30-33,37-38H,10,16,20H2,1-9H3,(H,36,39)/b23-17+,24-18+,28-19+/t21-,22-,25-,26-,27-,30-,31-,32-,33+/m0/s1
InChIKeyGBWYSPYPUUAVKR-MCSORCGTSA-N
Species of MetaboliteComponentSourceComments
Metarhizium acridum (ncbitaxon:92637) - PubMed (22292922)
ChEBI Ontology
Outgoing Relation(s)
Metacridamide B (CHEBI:202467) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(3S,6E,8S,9R,10E,12S,13S,14E,16S,17R)-3-benzyl-9,13-dihydroxy-6,8,10,12,14,16-hexamethyl-17-[(2S,4S)-4-methylhexan-2-yl]-1-oxa-4-azacycloheptadeca-6,10,14-triene-2,5-dione
Manual XrefsDatabases
28289678ChemSpider