input word = C00041070

Metabolite InformationStructural formula
Name Neurolenin C
Formula C20H28O7
Mw 380.18350325
CAS RN 165171-06-2
C_ID C00041070 ,
InChIKey PBRMNFXOHFGVPZ-GWDMAIJQNA-N
InChICode InChI=1S/C20H28O7/c1-10(2)8-15(22)27-18-17(23)16-12(4)19(24)26-13(16)9-11(3)6-7-14(21)20(18,5)25/h6-7,10-11,13,16-18,23,25H,4,8-9H2,1-3,5H3/b7-6-/t11-,13+,16+,17-,18+,20-/m0/s1
SMILES C=C1C(=O)O[C@@H]2C[C@@H](C)/C=CC(=O)[C@](C)(O)[C@H](OC(=O)CC(C)C)[C@@H](O)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeNeurolaena macrocephala Sch.Bip.Ex.Hemsl. Ref.
PlantaeAsteraceaeNeurolaena oaxacana Ref.
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