input word = C00050773

Metabolite InformationStructural formula
Name beta-Kudinlactone
Formula C30H46O5
Mw 486.33452458
CAS RN 173792-60-4
C_ID C00050773
InChIKey VVBNPPRBOSVRPD-NGQLUQPWNA-N
InChICode InChI=1S/C30H46O5/c1-24(2)18-8-11-26(4)19(25(18,3)10-9-20(24)32)16-17(31)21-22-29(7,34)28(6)13-15-30(22,23(33)35-28)14-12-27(21,26)5/h17-20,31-32,34H,8-16H2,1-7H3/t17-,18+,19-,20+,25+,26-,27-,28+,29+,30-/m1/s1
SMILES CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C[C@@H](O)C4=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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OrganismIlex kudingcha
ReferenceOuyang, et al., Phytochemistry, 41, (1996), 871