input word = C00049567

Metabolite InformationStructural formula
Name Scammonin V
Formula C44H76O20
Mw 924.49299487
CAS RN 133632-52-7
C_ID C00049567 ,
InChIKey PAFDDWPIUFROAZ-UHFFFAOYNA-N
InChICode InChI=1S/C44H76O20/c1-7-8-14-17-25-18-15-12-10-9-11-13-16-19-27(46)60-38-35(62-41-34(53)31(50)28(47)22(4)55-41)24(6)57-44(39(38)61-40(54)21(2)3)64-37-33(52)30(49)26(20-45)59-43(37)63-36-32(51)29(48)23(5)56-42(36)58-25/h21-26,28-39,41-45,47-53H,7-20H2,1-6H3/t22-,23+,24+,25+,26-,28+,29+,30-,31+,32+,33+,34-,35+,36+,37-,38-,39-,41-,42+,43+,44-/m1/s1
SMILES CCCCCC1CCCCCCCCCC(=O)OC2C(OC3OC(C)C(O)C(O)C3O)C(C)OC(OC3C(OC(CO)C(O)C3O)OC3C(O1)OC(C)C(O)C3O)C2OC(=O)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea orizabensis Ref.
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OrganismIpomoea orizabensis
ReferenceHernandez-Carolos,J.Nat.Prod.,62,(1999),1096