input word = C00054233

Metabolite InformationStructural formula
Name 6''-O-trans-Caffeoylhyperin
Formula C30H26O15
Mw 626.12717016
CAS RN 316354-12-8
C_ID C00054233
InChIKey IHBVMUCQCZEAPW-LIIVASQWSA-N
InChICode InChI=1S/C30H26O15/c31-14-9-19(36)23-20(10-14)43-28(13-3-5-16(33)18(35)8-13)29(25(23)39)45-30-27(41)26(40)24(38)21(44-30)11-42-22(37)6-2-12-1-4-15(32)17(34)7-12/h1-10,21,24,26-27,30-36,38,40-41H,11H2/b6-2+/t21-,24+,26+,27-,30+/m1/s1
SMILES OC1=C(O)C=CC(/C=C/C(OC[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](OC3=C(C4=CC=C(O)C(O)=C4)OC(C=C(O)C=C5O)=C5C3=O)O2)=O)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeHydrocotyle sibthorpioides Ref.
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