input word = C00063686

Metabolite InformationStructural formula
Name Baimantuoluoside A
Formula C34H48O12
Mw 648.314577
CAS RN 1186012-79-2
C_ID C00063686
InChIKey AIYMAHAWOXSLTP-YTNWMXSPSA-N
InChICode InChI=1S/C34H48O12/c1-14-10-20(44-30(41)16(14)13-43-31-27(40)26(39)25(38)21(12-35)45-31)15(2)17-7-8-18-24-19(11-23(37)32(17,18)3)33(4)22(36)6-5-9-34(33,42)29-28(24)46-29/h5-6,15,17-21,23-29,31,35,37-40,42H,7-13H2,1-4H3/t15-,17+,18-,19-,20+,21+,23+,24-,25+,26-,27+,28-,29-,31+,32+,33-,34-/m0/s1
SMILES CC1=C(COC2OC(CO)C(O)C(O)C2O)C(=O)OC(C(C)C2CCC3C4C5OC5C5(O)CC=CC(=O)C5(C)C4CC(O)C23C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
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