input word = C00016117

Metabolite InformationStructural formula
Name SMTP 4
Formula C32H39NO6
Mw 533.27773799
CAS RN 221161-86-0
C_ID C00016117 ,
InChIKey HSOVHMPKFQKPSJ-NPEZIXRPNA-N
InChICode InChI=1S/C32H39NO6/c1-20(2)10-8-11-21(3)12-9-15-32(4)28(35)18-24-27(34)17-23-25(29(24)39-32)19-33(30(23)36)26(31(37)38)16-22-13-6-5-7-14-22/h5-7,10,12-14,17,26,28,34-35H,8-9,11,15-16,18-19H2,1-4H3,(H,37,38)/b21-12+/t26-,28-,32-/m0/s1
SMILES CC(C)=CCC/C(C)=C/CC[C@]1(C)Oc2c(c(O)cc3c2CN(C(Cc2ccccc2)C(=O)O)C3=O)C[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro L-Arg L-Asp
Organism
Kingdom Family Species Reference
--Stachybotrys microspora IFO 30018 Ref.
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OrganismStachybotrys microspora IFO 30018
ReferenceHasumi,J.Antibiotics 51,(1998),1059