input word = C00044506

Metabolite InformationStructural formula
Name Adinoside D
(-)-Adinoside D
Formula C33H44O20
Mw 760.24259385
CAS RN 613261-51-1
C_ID C00044506 ,
InChIKey ZWGHYMXWGJTBGB-UCHAOFGMNA-N
InChICode InChI=1S/C33H44O20/c1-4-12-14(6-20(35)36)16(28(43)45-3)9-47-30(12)53-33-27(42)25(40)23(38)19(50-33)11-46-21-7-15-13(5-2)31(48-10-17(15)29(44)51-21)52-32-26(41)24(39)22(37)18(8-34)49-32/h4-5,9-10,12-15,18-19,21-27,30-34,37-42H,1-2,6-8,11H2,3H3,(H,35,36)/t12-,13+,14+,15+,18-,19-,21+,22-,23-,24+,25+,26-,27-,30+,31+,32+,33+/m1/s1
SMILES [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O[C@@H]1OC=C2[C@H]([C@@H]1C=C)C[C@H](OC2=O)OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@@H]1OC=C([C@H]([C@H]1C=C)CC(=O)O)C(=O)OC)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeAdina racemosa Ref.
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