input word = C00034015

Metabolite InformationStructural formula
Name Lactucain B
(-)-Lactucain B
Formula C30H32O9
Mw 536.20463262
CAS RN 541547-00-6
C_ID C00034015 ,
InChIKey AIGKJTXOWFMGLD-DFKFEVLSNA-N
InChICode InChI=1S/C30H32O9/c1-11-5-19(23-13(3)29(35)38-27(23)25-15(9-31)7-17(33)21(11)25)37-20-6-12(2)22-18(34)8-16(10-32)26(22)28-24(20)14(4)30(36)39-28/h7-8,14,19-20,23-28,31-32H,3,5-6,9-10H2,1-2,4H3/t14-,19-,20-,23+,24+,25-,26-,27-,28+/m0/s1
SMILES C=C1C(=O)O[C@@H]2[C@H]3C(CO)=CC(=O)C3=C(C)C[C@H](O[C@H]3CC(C)=C4C(=O)C=C(CO)[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
PlantaeAsteraceaeLactuca indica L. Ref.
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