input word = C00062749

Metabolite InformationStructural formula
Name Gravacridondiol-18-beta-D-glucoside
Formula C25H29NO10
Mw 503.17914616
CAS RN 710293-63-3
C_ID C00062749
InChIKey WJOPHHOYGCJPMX-NJYBYJRQSA-N
InChICode InChI=1S/C25H29NO10/c1-25(10-28,36-24-23(33)22(32)21(31)16(9-27)35-24)17-7-12-15(34-17)8-14(29)18-19(12)26(2)13-6-4-3-5-11(13)20(18)30/h3-6,8,16-17,21-24,27-29,31-33H,7,9-10H2,1-2H3/t16-,17?,21-,22+,23-,24+,25?/m1/s1
SMILES Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)CC(C(C)(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