input word = C00063971

Metabolite InformationStructural formula
Name Daturafoliside D
Formula C40H62O16
Mw 798.40378593
CAS RN 1621625-94-2
C_ID C00063971
InChIKey KKRDDRNAAOATTB-HHNVRJINSA-N
InChICode InChI=1S/C40H62O16/c1-16-9-25(54-36(51)20(16)15-52-37-34(49)32(47)30(45)26(13-41)55-37)17(2)21-5-6-22-29-23(7-8-39(21,22)3)40(4)18(11-24(29)43)10-19(12-28(40)44)53-38-35(50)33(48)31(46)27(14-42)56-38/h11,17,19,21-35,37-38,41-50H,5-10,12-15H2,1-4H3/t17-,19+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,37+,38+,39+,40-/m0/s1
SMILES CC1=C(COC2OC(CO)C(O)C(O)C2O)C(=O)OC(C(C)C2CCC3C4C(O)C=C5CC(OC6OC(CO)C(O)C(O)C6O)CC(O)C5(C)C4CCC23C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
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