input word = C00030495

Metabolite InformationStructural formula
Name Hydrangenoside A
Formula C31H40O13
Mw 620.24689137
CAS RN 74474-42-3
C_ID C00030495 ,
InChIKey BAKYVUHOODEWGV-ZMAVJRGHNA-N
InChICode InChI=1S/C31H40O13/c1-3-22-23(13-21-12-19(35)11-20(42-21)10-18(34)9-6-16-4-7-17(33)8-5-16)24(29(39)40-2)15-41-30(22)44-31-28(38)27(37)26(36)25(14-32)43-31/h3-5,7-8,15,20-23,25-28,30-33,36-38H,1,6,9-14H2,2H3/t20-,21+,22+,23+,25+,26+,27-,28+,30-,31-/m0/s1
SMILES [C@H]1(O[C@H](CC(=O)C1)CC(=O)CCc1ccc(cc1)O)C[C@H]1C(=CO[C@H]([C@@H]1C=C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHydrangeaceaeHydrangea chinensis Ref.
PlantaeHydrangeaceaeHydrangea macrophylla subsp.serrata (Thunb.) Makino Ref.
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OrganismHydrangea chinensis
ReferencePatnam,J.Nat.Prod.,64,(2001),948