input word = C00064611

Metabolite InformationStructural formula
Name Baimantuoluoside C
Formula C34H48O11
Mw 632.31966238
CAS RN 905722-47-6
C_ID C00064611
InChIKey QRRJOHYBCSTHDL-XUAGYYIXSA-N
InChICode InChI=1S/C34H48O11/c1-15-12-21(43-30(40)17(15)14-42-31-27(39)26(38)25(37)22(13-35)44-31)16(2)18-7-8-19-24-20(9-11-32(18,19)3)33(4)23(36)6-5-10-34(33,41)29-28(24)45-29/h5-6,16,18-22,24-29,31,35,37-39,41H,7-14H2,1-4H3/t16-,18+,19-,20-,21+,22+,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)C4CCC23C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
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