input word = C00047037

Metabolite InformationStructural formula
Name Cytonic acid B
Formula C32H36O10
Mw 580.23084737
CAS RN 273738-58-2
C_ID C00047037 ,
InChIKey NUJLMXRQKUYQKE-UHFFFAOYSA-N
InChICode InChI=1S/C32H36O10/c1-4-7-8-11-20-14-23(16-25(35)27(20)30(37)38)42-32(40)29-19(10-6-3)13-22(17-26(29)36)41-31(39)28-18(9-5-2)12-21(33)15-24(28)34/h12-17,33-36H,4-11H2,1-3H3,(H,37,38)
SMILES c1c(cc(c(c1O)C(=O)Oc1cc(c(c(c1)CCC)C(=O)Oc1cc(c(c(c1)CCCCC)C(=O)O)O)O)CCC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Cytonaema sp. Ref.
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