input word = C00053357

Metabolite InformationStructural formula
Name Isochromophilone XII
Formula C31H33ClN2O4
Mw 532.21288527
CAS RN 1428947-40-3
C_ID C00053357
InChIKey AVXDCMBMUQWUII-UXMZRRIFSA-N
InChICode InChI=1S/C31H33ClN2O4/c1-6-19(2)15-20(3)11-12-23-16-25-26(29(36)31(5,38-21(4)35)30(37)28(25)32)18-34(23)14-13-22-17-33-27-10-8-7-9-24(22)27/h7-12,15-19,33H,6,13-14H2,1-5H3/b12-11+,20-15+/t19-,31+/m0/s1
SMILES CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)C(=O)C2=CN1CCc1c[nH]c2ccccc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiDiaporthaceaeDiaporthe sp. IFB-3lp-10 Ref.
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OrganismDiaporthe sp. IFB-3lp-10
ReferenceGao, J-M. et al., Chem. Rev., 113, (2013), 4755-4811.