input word = C00063970

Metabolite InformationStructural formula
Name Daturafoliside C
Formula C34H52O11
Mw 636.3509625
CAS RN 1621625-93-1
C_ID C00063970
InChIKey ONUZSIYVENIZOQ-WSJIXESKSA-N
InChICode InChI=1S/C34H52O11/c1-15-9-24(44-31(42)19(15)13-35)16(2)20-5-6-21-27-22(7-8-33(20,21)3)34(4)17(11-23(27)37)10-18(12-26(34)38)43-32-30(41)29(40)28(39)25(14-36)45-32/h11,16,18,20-30,32,35-41H,5-10,12-14H2,1-4H3/t16-,18+,20+,21-,22-,23-,24+,25+,26-,27-,28+,29-,30+,32+,33+,34-/m0/s1
SMILES CC1=C(CO)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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