input word = C00059982

Metabolite InformationStructural formula
Name Galloyloxypaeoniflorin
Formula C30H32O16
Mw 648.16903498
CAS RN 145898-93-7
C_ID C00059982
InChIKey PRUKRWUTUBERIO-IFPUPTAISA-N
InChICode InChI=1S/C30H32O16/c1-27-8-29(23(38)22(27)37,10-42-24(39)12-4-16(32)20(35)17(33)5-12)46-30(27,45-28-6-13-7-41-26(18(13)28)44-9-28)11-43-25(40)14-2-3-15(31)21(36)19(14)34/h2-4,7,12,17,20,22-23,31-38H,5-6,8-11H2,1H3/t12?,17?,20?,22-,23-,27?,28-,29?,30+/m0/s1
SMILES CC12CC(COC(=O)C3C=C(O)C(O)C(O)C3)(OC1(COC(=O)c1ccc(O)c(O)c1O)OC13COc4occ(c41)C3)C(O)C2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePhellodendron amurense Ref.
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