input word = C00006401

Metabolite InformationStructural formula
Name Cratenacin
Formula C29H32O15
Mw 620.17412036
CAS RN 28329-82-0
C_ID C00006401 ,
InChIKey HMBGJEJYEHGZIP-PBAZOJOUNA-N
InChICode InChI=1S/C29H32O15/c1-10-21(35)22(36)25(39)29(41-10)44-26-18(9-40-11(2)30)43-28(24(38)23(26)37)20-15(33)7-14(32)19-16(34)8-17(42-27(19)20)12-3-5-13(31)6-4-12/h3-8,10,18,21-26,28-29,31-33,35-39H,9H2,1-2H3/t10-,18-,21-,22-,23+,24+,25+,26+,28-,29-/m0/s1
SMILES c1(cc(c2c(c1[C@@H]1O[C@H]([C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H]([C@@H]([C@@H]([C@H]1O)O)O)C)COC(=O)C)oc(cc2=O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeCrataegus curvisepala Ref.
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