input word = C00051293

Metabolite InformationStructural formula
Name Liquidambronovic acid
Formula C30H46O3
Mw 454.34469533
CAS RN 65688-53-1
C_ID C00051293
InChIKey XLYMSCWACATZPE-IQBKECSQNA-N
InChICode InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24-,27-,28+,29+,30-/m0/s1
SMILES C=C1CC[C@]2(OC=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHamamelidaceaeLiquidambar formosana Ref.
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