input word = C00044812

Metabolite InformationStructural formula
Name Hydrangenoside E
Formula C29H40O12
Mw 580.25197674
CAS RN 81417-80-3
C_ID C00044812 ,
InChIKey SYCAAOWPYJBQKF-UHFFFAOYNA-N
InChICode InChI=1S/C29H40O12/c1-3-20-21(12-19-11-17(32)10-18(39-19)9-6-15-4-7-16(31)8-5-15)22(27(36)37-2)14-38-28(20)41-29-26(35)25(34)24(33)23(13-30)40-29/h3-5,7-8,14,17-21,23-26,28-35H,1,6,9-13H2,2H3/t17-,18+,19+,20-,21+,23-,24-,25+,26-,28-,29+/m0/s1
SMILES [C@H]1([C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)O[C@H]1[C@H]([C@H](C(=CO1)C(=O)OC)C[C@@H]1O[C@@H](C[C@@H](C1)O)CCc1ccc(cc1)O)C=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHydrangeaceaeHydrangea chinensis Ref.
PlantaeHydrangeaceaeHydrangea macrophylla Ser. Ref.
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