input word = C00018396

Metabolite InformationStructural formula
Name Dotriacolide
Formula C40H76O18S4
Mw 972.39144855
CAS RN 80994-06-5
C_ID C00018396 ,
InChIKey YIIKXRWDWWBASM-HMZBKAONNA-N
InChICode InChI=1S/C40H76O18S4/c1-35(55-59(42,43)44)27-21-15-14-19-22-28-36-33-37(56-60(45,46)47)29-23-16-11-7-5-8-12-18-25-31-39(58-62(51,52)53)34-38(57-61(48,49)50)30-24-17-10-6-3-2-4-9-13-20-26-32-40(41)54-36/h26,32,35-39H,2-25,27-31,33-34H2,1H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)/b32-26+/t35-,36+,37-,38+,39+/m0/s1
SMILES C1[C@H](C[C@@H](CCCCCCCCCCC[C@@H](C[C@H](OC(=O)/C=C/CCCCCCCCCC1)CCCCCCC[C@H](C)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaMicromonosporaceaeMicromonospora echinospora MG299-fF35 Ref.
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