input word = C00026617

Metabolite InformationStructural formula
Name Javaniside
Formula C26H30N2O9
Mw 514.19513057
CAS RN 766509-38-0
C_ID C00026617 ,
InChIKey UXDQUMNIWFOBFX-GUUXTCQRNA-N
InChICode InChI=1S/C26H30N2O9/c1-2-12-13-9-18-26(15-5-3-4-6-16(15)27-25(26)34)7-8-28(18)22(33)14(13)11-35-23(12)37-24-21(32)20(31)19(30)17(10-29)36-24/h2-6,11-13,17-21,23-24,29-32H,1,7-10H2,(H,27,34)/t12-,13-,17-,18+,19+,20+,21-,23-,24-,26+/m0/s1
SMILES c1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2N(CC1)C(=O)C1=CO[C@H]([C@H]([C@@H]1C2)C=C)O[C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@@H]1O)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeAlangium javanicum Ref.
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OrganismAlangium javanicum
ReferenceMa,Chem.Commun.,(2004),1190