input word = C00038391

Metabolite InformationStructural formula
Name Aglinin B
Formula C30H52O6
Mw 508.37638939
CAS RN 246868-98-4
C_ID C00038391 ,
InChIKey GOGUYBVFXPYHRJ-TYBMUFBLNA-N
InChICode InChI=1S/C30H52O6/c1-24(2,33)21-12-16-28(7)22(26(21,5)14-13-23(31)32)10-9-19-20(11-15-27(19,28)6)29(8)17-18-30(35,36-29)25(3,4)34/h19-22,33-35H,9-18H2,1-8H3,(H,31,32)/t19-,20+,21+,22-,26-,27-,28-,29+,30+/m1/s1
SMILES CC(C)(O)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@](O)(C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAglaia lawii Ref.
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