input word = C00012311

Metabolite InformationStructural formula
Name Neurolenin B
Formula C22H30O8
Mw 422.19406794
CAS RN 67506-30-3
C_ID C00012311 ,
InChIKey UVRIFAYGSSDVER-MFAQRCPVNA-N
InChICode InChI=1S/C22H30O8/c1-11(2)9-17(25)30-19-18-13(4)21(26)29-15(18)10-12(3)7-8-16(24)22(6,27)20(19)28-14(5)23/h7-8,11-12,15,18-20,27H,4,9-10H2,1-3,5-6H3/b8-7-/t12-,15+,18+,19-,20+,22-/m0/s1
SMILES [C@H]12[C@H](OC(=O)C1=C)C[C@H](/C=C\C(=O)[C@]([C@@H]([C@H]2OC(=O)CC(C)C)OC(=O)C)(C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea urticifolia Ref.
PlantaeAsteraceaeNeurolaena lobata Ref.
PlantaeAsteraceaeNeurolaena macrocephala Sch.Bip.Ex.Hemsl. Ref.
PlantaeAsteraceaeNeurolaena oaxacana Ref.
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