input word = C00034014

Metabolite InformationStructural formula
Name Lactucain A
(-)-Lactucain A
Formula C30H32O7
Mw 504.21480338
CAS RN 541546-99-0
C_ID C00034014 ,
InChIKey AULGBYCWKJOWIY-HQGNARIGNA-N
InChICode InChI=1S/C30H32O7/c1-11-7-17(31)21-13(3)9-19(25-15(5)29(33)36-27(25)23(11)21)35-20-10-14(4)22-18(32)8-12(2)24(22)28-26(20)16(6)30(34)37-28/h7-8,16,19-20,23-28H,5,9-10H2,1-4,6H3/t16-,19-,20-,23-,24-,25+,26+,27+,28+/m0/s1
SMILES C=C1C(=O)O[C@@H]2[C@H]3C(C)=CC(=O)C3=C(C)C[C@H](O[C@H]3CC(C)=C4C(=O)C=C(C)[C@@H]4[C@H]4OC(=O)[C@@H](C)[C@@H]43)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIxeris sonchifolia Hance Ref.
PlantaeAsteraceaeLactuca indica L. Ref.
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