input word = C00059550

Metabolite InformationStructural formula
Name Procyanidin A1
Formula C30H24O12
Mw 576.12677623
CAS RN 12798-56-0
C_ID C00059550
InChIKey NSEWTSAADLNHNH-UHFFFAOYSA-N
InChICode InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2
SMILES Oc1cc(O)c2c(c1)OC1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3C2C1O)OC(c1ccc(O)c(O)c1)C(O)C4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIlliciaceaeIllicium anisatum Ref.
PlantaeMoraceaeMorus alba Ref.
zoom in