input word = C00020826

Metabolite InformationStructural formula
Name Lactucin 8-O-hypoglabrate
Formula C30H32O7
Mw 504.21480338
CAS RN 81249-28-7
C_ID C00020826 ,
InChIKey TWLRRSVJAXLDPR-PFHRUJSNNA-N
InChICode InChI=1S/C30H32O7/c1-12-8-20(23-16(5)29(35)37-27(23)24-17(11-31)10-19(32)22(12)24)36-28(34)15(4)18-7-6-14(3)30-21(33)9-13(2)25(30)26(18)30/h9-10,14,18,20,23-27,31H,4-8,11H2,1-3H3/t14-,18-,20-,23+,24-,25-,26-,27+,30-/m0/s1
SMILES C12=C(C[C@@H]([C@@H]3[C@H]([C@H]1C(=CC2=O)CO)OC(=O)C3=C)OC(=O)C(=C)[C@@H]1CC[C@@H]([C@]23[C@@H]1[C@@H]3C(=CC2=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHypochoeris glabra Ref.
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OrganismHypochoeris glabra
ReferenceBohlmann,Phytochem.,20,(1981),2371