input word = C00062748

Metabolite InformationStructural formula
Name Gravacridontriol-18-beta-D-glucoside
Formula C25H29NO11
Mw 519.17406078
CAS RN 710293-62-2
C_ID C00062748
InChIKey WDTJZOIVONIHDP-JSGYJCAPSA-N
InChICode InChI=1S/C25H29NO11/c1-26-13-5-3-2-4-11(13)20(31)18-14(30)7-15-12(19(18)26)6-17(35-15)25(9-28,10-29)37-24-23(34)22(33)21(32)16(8-27)36-24/h2-5,7,16-17,21-24,27-30,32-34H,6,8-10H2,1H3/t16-,17?,21-,22+,23-,24+/m1/s1
SMILES Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)CC(C(CO)(CO)OC1OC(CO)C(O)C(O)C1O)O3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeRuta graveolens Ref.
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OrganismRuta graveolens
Referencehttps://doi.org/10.1016/j.phytochem.2004.03.003