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 [C@]12([C@H](CC[C@H]3[C@]1(CC[C@H]([C@]3(CCC(=O)O)C)C(C)(C)O)C)[C@H](CC2)[C@]1(O[C@@](CC1)(C(C)(O)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAglaia lawii Ref.
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OrganismAglaia lawii
ReferenceMohamad,Phytochem.,51,(1999),1031