input word = C00018308

Metabolite InformationStructural formula
Name Izumenolide
Formula C40H74O14S3
Mw 874.42406926
CAS RN 76265-39-9
C_ID C00018308 ,
InChIKey ZIKVIJYTFFPQEA-YRSDZLOPNA-N
InChICode InChI=1S/C40H74O14S3/c1-2-3-4-5-14-20-25-30-37(52-55(42,43)44)34-36-29-24-19-15-11-9-12-17-22-27-32-39(54-57(48,49)50)35-38(53-56(45,46)47)31-26-21-16-10-7-6-8-13-18-23-28-33-40(41)51-36/h2-3,28,33,36-39H,4-27,29-32,34-35H2,1H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)/b3-2-,33-28+/t36-,37-,38+,39-/m0/s1
SMILES C1C[C@H](C[C@H](CCCCCCCCCCC[C@H](OC(=O)/C=C/CCCCCCCCC1)C[C@H](CCCCCC/C=C\C)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaMicromonosporaceaeMicromonospora chalcea subsp. izumensis Ref.
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