input word = C00050771

Metabolite InformationStructural formula
Name alpha-Kudinlactone
Formula C30H44O4
Mw 468.32395989
CAS RN 55822-21-4
C_ID C00050771
InChIKey XSPNWBBGKPFXRL-WJWLGSLWNA-N
InChICode InChI=1S/C30H44O4/c1-24(2)19-10-13-27(5)20(25(19,3)12-11-21(24)31)9-8-18-22-29(7,33)28(6)15-17-30(22,23(32)34-28)16-14-26(18,27)4/h8-9,19-21,31,33H,10-17H2,1-7H3/t19-,20+,21-,25-,26+,27+,28-,29-,30+/m0/s1
SMILES CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C=CC4=C5[C@]6(CC[C@](C)(OC6=O)[C@@]5(C)O)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex kudingcha Ref.
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