input word = C00000491

Metabolite InformationStructural formula
Name Superstolide A
Formula C36H52N2O7
Mw 624.37745203
CAS RN 156368-64-8
C_ID C00000491 ,
InChIKey ZHDISDMFKHVMGN-BJGSJFPDNA-N
InChICode InChI=1S/C36H52N2O7/c1-21-10-9-11-32(40)45-34(24(4)33(41)25(5)38-26(6)39)23(3)13-12-22(2)18-27-14-15-29-30(36(27,7)17-16-21)19-28(43-8)20-31(29)44-35(37)42/h9-18,23-25,27-31,33-34,41H,19-20H2,1-8H3,(H2,37,42)(H,38,39)/b11-9+,13-12+,17-16+,21-10-,22-18+/t23-,24-,25-,27-,28+,29+,30-,31+,33+,34-,36?/m1/s1
SMILES C1[C@H](C[C@@H]2[C@@H]([C@H]1OC(=O)N)C=C[C@H]1[C@]2(C)/C=C/C(=C\C=C\C(=O)O[C@H]([C@@H](/C=C/C(=C/1)/C)C)[C@@H]([C@@H]([C@H](NC(=O)C)C)O)C)/C)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
--Neosiphonia superstes Ref.
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