input word = C00059593

Metabolite InformationStructural formula
Name Deacetylnomilin 17-beta-D-glucopyranoside
Formula C32H44O14
Mw 652.27310612
CAS RN 129477-06-1
C_ID C00059593
InChIKey RXNOYQITMDJAFP-VIWLNRHZSA-N
InChICode InChI=1S/C32H44O14/c1-28(2)17-10-19(35)31(5)16(30(17,4)18(34)11-20(36)45-28)6-8-29(3,32(31)25(46-32)26(40)41)24(14-7-9-42-13-14)44-27-23(39)22(38)21(37)15(12-33)43-27/h7,9,13,15-18,21-25,27,33-34,37-39H,6,8,10-12H2,1-5H3,(H,40,41)/t15-,16-,17+,18-,21-,22+,23-,24+,25-,27+,29+,30-,31+,32-/m1/s1
SMILES CC1(C)OC(=O)CC(O)C2(C)C1CC(=O)C1(C)C2CCC(C)(C(OC2OC(CO)C(O)C(O)C2O)c2ccoc2)C12OC2C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus sinensis Ref.
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