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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

(3x,5x,10x)-9,10-didehydroisohumbertiol o-[rhamnosyl-(1->4)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)]-glucoside]  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C39H62O18

inchi

  • InChI=1S/C39H62O18/c1-9-39(8,13-20-12-16(4)10-11-21(20)15(2)3)57-38-34(28(45)25(42)22(54-38)14-50-35-30(47)26(43)23(40)17(5)51-35)56-37-32(49)29(46)33(19(7)53-37)55-36-31(48)27(44)24(41)18(6)52-36/h9,12,17-19,22-38,40-49H,1-2,10-11,13-14H2,3-8H3

inchikey

  • BFNFFYBOJHJTBC-UHFFFAOYSA-N

mass

  • 818.907

monoisotopicmass

  • 818.39362

smiles

  • O(C1C(O)C(O)C(OC1OC(CC2=C(CCC(=C2)C)C(C)=C)(C)C=C)COC3OC(C(O)C(O)C3O)C)C4OC(C(OC5OC(C(O)C(O)C5O)C)C(O)C4O)C

subset

  • 2_STAR

synonym EXACT

  • 2-[[5-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[2-methyl-1-(5-methyl-2-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)but-3-en-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168618

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