input word = C00049591

Metabolite InformationStructural formula
Name Neurolenin H
Formula C22H30O8
Mw 422.19406794
CAS RN 233257-94-8
C_ID C00049591 ,
InChIKey HXRGCHCPNUEBPG-KKUNUZHHNA-N
InChICode InChI=1S/C22H30O8/c1-7-12(3)20(25)30-18-17-13(4)21(26)29-15(17)10-11(2)8-9-16(24)22(6,27)19(18)28-14(5)23/h8-9,11-12,15,17-19,27H,4,7,10H2,1-3,5-6H3/b9-8-/t11-,12-,15+,17+,18-,19+,22-/m0/s1
SMILES C\1=C\[C@@H](C[C@@H]2[C@H]([C@@H]([C@H]([C@](C1=O)(O)C)OC(=O)C)OC(=O)[C@@H](C)CC)C(=C)C(=O)O2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeNeurolaena oaxacana Ref.
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