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CHEBI:218906 - Metacridamide A

ChEBI IDCHEBI:218906
ChEBI NameMetacridamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H55NO6
Net Charge0
Average Mass609.848
Monoisotopic Mass609.40294
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](OC(C)=O)/C(C)=C/[C@@H]1C
InChIInChI=1S/C37H55NO6/c1-11-22(2)17-25(5)35-28(8)20-27(7)34(43-30(10)39)26(6)18-23(3)33(40)24(4)19-29(9)36(41)38-32(37(42)44-35)21-31-15-13-12-14-16-31/h12-16,18-20,22,24-26,28,32-35,40H,11,17,21H2,1-10H3,(H,38,41)/b23-18+,27-20+,29-19+/t22-,24-,25-,26-,28-,32-,33-,34-,35+/m0/s1
InChIKeyWIRRTALUVUQONX-HVCDBQLESA-N
Species of MetaboliteComponentSourceComments
Metarhizium acridum (ncbitaxon:92637) - PubMed (22292922)
ChEBI Ontology
Outgoing Relation(s)
Metacridamide A (CHEBI:218906) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
[(3S,6E,8S,9R,10E,12S,13S,14E,16S,17R)-3-benzyl-9-hydroxy-6,8,10,12,14,16-hexamethyl-17-[(2S,4S)-4-methylhexan-2-yl]-2,5-dioxo-1-oxa-4-azacycloheptadeca-6,10,14-trien-13-yl] acetate
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