input word = C00015602

Metabolite InformationStructural formula
Name AB 400
Formula C33H48N2O12
Mw 664.32072501
CAS RN 85496-13-5
C_ID C00015602 ,
InChIKey GKGPPFUKCRYAST-CYFDLDIONA-N
InChICode InChI=1S/C33H48N2O12/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(40)28(34)29(39)19(2)44-32)15-25-27(31(35)41)22(37)17-33(42,47-25)16-20(36)14-24-23(46-24)12-13-26(38)43-18/h3-9,11-13,18-25,27-30,32,36-37,39-40,42H,10,14-17,34H2,1-2H3,(H2,35,41)/b4-3+,7-5+,8-6+,11-9+,13-12+/t18-,19-,20+,21+,22+,23-,24-,25+,27-,28+,29-,30-,32+,33-/m1/s1
SMILES [C@H]1([C@H]([C@H]2O[C@@](C1)(C[C@H](C[C@@H]1[C@@H](/C=C/C(=O)O[C@@H](C/C=C/C=C/C=C/C=C/[C@@H](C2)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N)O)C)O1)O)O)C(=O)N)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces costae Ref.
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