input word = C00033624

Metabolite InformationStructural formula
Name Alisol B 23-acetate
Formula C32H50O5
Mw 514.36582471
CAS RN 26575-95-1
C_ID C00033624 ,
InChIKey NLOAQXKIIGTTRE-PVMSLEPFNA-N
InChICode InChI=1S/C32H50O5/c1-18(16-23(36-19(2)33)27-29(5,6)37-27)20-10-14-31(8)21(20)17-22(34)26-30(7)13-12-25(35)28(3,4)24(30)11-15-32(26,31)9/h18,22-24,26-27,34H,10-17H2,1-9H3/t18-,22+,23+,24+,26+,27-,30+,31+,32+/m1/s1
SMILES CC(=O)O[C@@H](C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)[C@H]1OC1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlismataceaeAlisma orientale Ref.
PlantaeRutaceaePhellodendron amurense Ref.
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