input word = C00010797

Metabolite InformationStructural formula
Name Centapicrin
Formula C25H28O12
Mw 520.15807636
CAS RN 59193-73-6
C_ID C00010797 ,
InChIKey AUBUQPJTUXPAMK-GTNMEVHQNA-N
InChICode InChI=1S/C25H28O12/c1-3-15-16-7-8-32-23(31)17(16)11-33-24(15)37-25-21(36-22(30)13-5-4-6-14(28)9-13)20(34-12(2)27)19(29)18(10-26)35-25/h3-6,9,11,15-16,18-21,24-26,28-29H,1,7-8,10H2,2H3/t15-,16-,18-,19-,20+,21-,24-,25+/m1/s1
SMILES [C@H]1(O[C@@H]([C@H]([C@@H]([C@H]1OC(=O)c1cccc(c1)O)OC(=O)C)O)CO)O[C@H]1OC=C2C(=O)OCC[C@@H]2[C@H]1C=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeErythraea centaurium Ref.
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