input word = C00042037

Metabolite InformationStructural formula
Name 10-O-trans-p-Coumaroyldesacetyl asperulosidic acid
(-)-10-O-trans-p-Coumaroyldesacetyl asperulosidic acid
Formula C25H28O13
Mw 536.15299098
CAS RN 870785-27-6
C_ID C00042037 ,
InChIKey AENHXJZDACLRQM-WCZDXPLONA-N
InChICode InChI=1S/C25H28O13/c26-8-16-20(30)21(31)22(32)25(37-16)38-24-18-12(7-15(28)19(18)14(10-36-24)23(33)34)9-35-17(29)6-3-11-1-4-13(27)5-2-11/h1-7,10,15-16,18-22,24-28,30-32H,8-9H2,(H,33,34)/b6-3+/t15-,16-,18-,19+,20-,21+,22-,24+,25+/m1/s1
SMILES C1=C([C@@H]2[C@H]([C@@H](O1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=C[C@H]2O)COC(=O)/C=C/c1ccc(cc1)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeCraibiodendron henryi Ref.
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