input word = C00041737

Metabolite InformationStructural formula
Name Penochalasin A
Formula C32H35N3O3
Mw 509.26784201
CAS RN 173792-70-6
C_ID C00041737 ,
InChIKey IDQATFGCKXEYMA-BXDKFJHGNA-N
InChICode InChI=1S/C32H35N3O3/c1-17-8-7-10-22-29-31(4,38-29)19(3)27-25(16-21-15-20-9-5-6-11-23(20)33-21)35-30(37)32(22,27)26-13-12-24(34-26)28(36)18(2)14-17/h5-7,9-15,17,19,22,25,27,29,33-34H,8,16H2,1-4H3,(H,35,37)/b10-7+,18-14+/t17-,19+,22+,25-,27-,29+,31-,32+/m1/s1
SMILES C/C1=CC(C)C/C=C/C2C3OC3(C)C(C)C3C(Cc4cc5ccccc5[nH]4)NC(=O)C23c2ccc([nH]2)C1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
FungiChaetomiaceaeChaetomium globosum IFB-E019 Ref.
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