input word = C00015001

Metabolite InformationStructural formula
Name R 176502
Formula C47H67NO13
Mw 853.46124123
CAS RN 646066-94-6
C_ID C00015001 ,
InChIKey JXMDVHROXKUEAM-KUESYNKUNA-N
InChICode InChI=1S/C47H67NO13/c1-11-12-13-14-17-36-31(6)39(59-41(52)22-21-40(51)48-42-34(49)19-20-35(42)50)26-47(56,61-36)33(8)44(54)32(7)45-37(57-9)18-15-16-27(2)23-29(4)43(53)30(5)24-28(3)25-38(58-10)46(55)60-45/h12-18,21-22,24-25,29-33,36-37,39,43-45,49,53-54,56H,11,19-20,23,26H2,1-10H3,(H,48,51)/b13-12+,17-14+,18-15+,22-21+,27-16+,28-24+,38-25-/t29-,30+,31+,32-,33-,36+,37-,39+,43-,44+,45+,47+/m0/s1
SMILES [C@@H]1([C@H](C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]1C)/C)/OC)[C@H]([C@H]([C@@H]([C@@]1(O[C@@H]([C@H]([C@@H](C1)OC(=O)/C=C/C(=O)NC1=C(CCC1=O)O)C)/C=C/C=C/CC)O)C)O)C)OC)/C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaMicromonosporaceaeMicromonospora sp. JS1035 Ref.
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