input word = C00006137

Metabolite InformationStructural formula
Name Keyakinin B
Formula C22H22O12
Mw 478.11112617
CAS RN
C_ID C00006137 ,
InChIKey PBYPIFDEBZJDAM-QVGHOJOUNA-N
InChICode InChI=1S/C22H22O12/c1-32-10-5-11-13(16(27)14(10)22-20(31)18(29)15(26)12(6-23)34-22)17(28)19(30)21(33-11)7-2-3-8(24)9(25)4-7/h2-5,12,15,18,20,22-27,29-31H,6H2,1H3/t12-,15-,18+,20-,22+/m1/s1
SMILES c1(c(c(c2c(c1)oc(c(c2=O)O)c1cc(c(cc1)O)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeUlmaceaeZelkova serrata Ref.
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