input word = C00016001

Metabolite InformationStructural formula
Name FCE 22724
Histomodulin
Formula C28H28O15
Mw 604.14282023
CAS RN 91992-05-1
C_ID C00016001 ,
InChIKey BHRAFQOREFGNGL-JMYSPLLBNA-N
InChICode InChI=1S/C28H28O15/c1-3-28(40)7-9(29)12-13(16(28)26(39)41-2)20(33)14-15(19(12)32)18(31)11-8(17(14)30)5-4-6-10(11)42-27-23(36)21(34)22(35)24(43-27)25(37)38/h4-6,9,16,21-24,27,29,32-36,40H,3,7H2,1-2H3,(H,37,38)/t9-,16+,21+,22+,23+,24+,27-,28-/m1/s1
SMILES CCC1(O)CC(O)c2c(O)c3c(c(O)c2C1C(=O)OC)C(=O)c1cccc(O[C@@H]2OC(C(=O)O)[C@@H](O)[C@H](O)C2O)c1C3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces ruber JCM3131 Ref.
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