input word = C00019851

Metabolite InformationStructural formula
Name Edgeworoside A
Formula C33H24O13
Mw 628.12169086
CAS RN 120040-21-3
C_ID C00019851 ,
InChIKey IKMYHRZEPWIULH-RRVNIRSHNA-N
InChICode InChI=1S/C33H24O13/c1-14-27(37)28(38)29(39)33(41-14)44-20-9-4-16-6-11-24(36)45-30(16)26(20)25-19(34)8-3-17-12-22(32(40)46-31(17)25)42-18-7-2-15-5-10-23(35)43-21(15)13-18/h2-14,27-29,33-34,37-39H,1H3/t14-,27-,28+,29-,33-/m0/s1
SMILES CC1O[C@@H](Oc2ccc3ccc(=O)oc3c2-c2c(O)ccc3cc(Oc4ccc5ccc(=O)oc5c4)c(=O)oc23)[C@@H](O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeEdgeworthia chrysantha Ref.
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