input word = C00014993

Metabolite InformationStructural formula
Name SMTP 6D
Formula C34H40N2O6
Mw 572.28863702
CAS RN 714231-28-4
C_ID C00014993 ,
InChIKey CJZYCBIYGYFBTP-YGQFCXMTNA-N
InChICode InChI=1S/C34H40N2O6/c1-20(2)9-7-10-21(3)11-8-14-34(4)30(38)17-25-29(37)16-24-26(31(25)42-34)19-36(32(24)39)28(33(40)41)15-22-18-35-27-13-6-5-12-23(22)27/h5-6,9,11-13,16,18,28,30,35,37-38H,7-8,10,14-15,17,19H2,1-4H3,(H,40,41)/b21-11+/t28-,30+,34+/m1/s1
SMILES C(=CCC/C(=C/CC[C@@]1(Oc2c(C[C@@H]1O)c(cc1c2CN(C1=O)[C@H](Cc1c[nH]c2c1cccc2)C(=O)O)O)C)/C)(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro
Organism
Kingdom Family Species Reference
--Stachybotrys microspora IFO 30018 Ref.
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