input word = C00064512

Metabolite InformationStructural formula
Name Aspafilioside A
Formula C38H62O12
Mw 710.42412745
CAS RN 72947-73-0
C_ID C00064512
InChIKey
InChICode InChI=1S/C38H62O12/c1-18-7-12-38(46-16-18)19(2)28-26(50-38)14-24-22-6-5-20-13-21(8-10-36(20,3)23(22)9-11-37(24,28)4)47-35-32(44)30(42)33(27(15-39)48-35)49-34-31(43)29(41)25(40)17-45-34/h18-35,39-44H,5-17H2,1-4H3/t18-,19-,20+,21-,22+,23-,24-,25+,26-,27+,28-,29-,30+,31+,32+,33+,34-,35+,36-,37-,38+/m0/s1;InChI=1S/C38H62O12/c1-18-7-12-38(46-16-18)19(2)28-26(50-38)14-24-22-6-5-20-13-21(8-10-36(20,3)23(22)9-11-37(24,28)4)47-35-32(44)30(42)33(27(15-39)48-35)49-34-31(43)29(41)25(40)17-45-34/h18-35,39-44H,5-17H2,1-4H3/t18-,19-,20?,21?,22?,23?,24?,25+,26-,27+,28-,29-,30+,31+,32+,33+,34-,35+,36-,37-,38+/m0/s1;InChI=1S/C38H62O12/c1-18-7-12-38(46-16-18)19(2)28-26(50-38)14-24-22-6-5-20-13-21(8-10-36(20,3)23(22)9-11-37(24,28)4)47-35-32(44)30(42)33(27(15-39)48-35)49-34-31(43)29(41)25(40)17-45-34/h18-35,39-44H,5-17H2,1-4H3
SMILES CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus filicinus Ref.
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OrganismAsparagus filicinus
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 1, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.