input word = C00063813

Metabolite InformationStructural formula
Name Baimantuoluoside H
Formula C34H50O12
Mw 650.33022706
CAS RN 1349691-83-3
C_ID C00063813
InChIKey PHTAMKAWULWOCS-RGHZRREDSA-N
InChICode InChI=1S/C34H50O12/c1-15-10-22(45-30(42)18(15)14-44-31-29(41)28(40)27(39)23(13-35)46-31)16(2)19-7-8-20-17-11-26(38)34(43)9-5-6-24(36)33(34,4)21(17)12-25(37)32(19,20)3/h5-6,16-17,19-23,25-29,31,35,37-41,43H,7-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,23+,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)C2CCC3C4CC(O)C5(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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