input word = C00031884

Metabolite InformationStructural formula
Name Incisagenin
12-O-tigloyldeacylmetaplexigenin
Formula C26H38O7
Mw 462.26175357
CAS RN 129051-68-9
C_ID C00031884 ,
InChIKey VKIVNVHEEXIDMH-MUTLYKAPNA-N
InChICode InChI=1S/C26H38O7/c1-6-15(2)21(29)33-20-14-19-22(4)9-8-18(28)13-17(22)7-10-25(19,31)26(32)12-11-24(30,16(3)27)23(20,26)5/h6-7,18-20,28,30-32H,8-14H2,1-5H3/b15-6+/t18-,19+,20+,22-,23+,24+,25-,26+/m0/s1
SMILES C1[C@@H](CC2=CC[C@@]3([C@@H]([C@]2(C1)C)C[C@H]([C@]1([C@@]3(CC[C@@]1(O)C(=O)C)O)C)OC(=O)/C(=C/C)/C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAraujia sericifera Ref.
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