input word = C00051291

Metabolite InformationStructural formula
Name Liquidambaric lactone
Formula C30H44O4
Mw 468.32395989
CAS RN 185051-75-6
C_ID C00051291
InChIKey ATQBPBZOVWXRTA-OBEMDMKJNA-N
InChICode InChI=1S/C30H44O4/c1-24(2)12-14-29-15-13-28(7)27(6)11-8-17-25(3,4)19(31)9-10-26(17,5)21(27)20-22(33-20)30(28,18(29)16-24)34-23(29)32/h17-18,20-22H,8-16H2,1-7H3/t17-,18+,20-,21+,22-,26-,27+,28-,29-,30+/m0/s1
SMILES CC1(C)CC[C@@]23CC[C@]4(C)[C@@](OC2=O)([C@@H]3C1)[C@H]1O[C@H]1[C@@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@]14C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHamamelidaceaeLiquidambar formosana Ref.
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