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 C=C1C(=O)O[C@@H]2[C@H]3C(CO)=CC(=O)C3=C(C)C[C@H](OC(=O)C(=C)[C@@H]3CC[C@H](C)C45C(=O)C=C(C)C4C35)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHypochoeris glabra Ref.
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