input word = C00044811

Metabolite InformationStructural formula
Name Hydrachoside A
(-)-Hydrachoside A
Formula C27H34O12
Mw 550.20502655
CAS RN 610303-91-8
C_ID C00044811 ,
InChIKey CWRAQHOZLCMDKY-XNCBMGQPNA-N
InChICode InChI=1S/C27H34O12/c1-3-17-18(10-16-8-15(30)9-20(37-16)13-4-6-14(29)7-5-13)19(25(34)35-2)12-36-26(17)39-27-24(33)23(32)22(31)21(11-28)38-27/h3-7,12,16-18,20-24,26-29,31-33H,1,8-11H2,2H3/t16-,17+,18+,20-,21-,22-,23+,24-,26+,27+/m1/s1
SMILES C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C[C@H]1CC(=O)C[C@H](c2ccc(O)cc2)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHydrangeaceaeHydrangea chinensis Ref.
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OrganismHydrangea chinensis
ReferenceChang,J.Nat.Prod.,66,(2003),1245