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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxyisoflavone > irilone-4'-o-[beta-d-glucopyranosyl-(1->6)-beta-d-glucopyranoside]
... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > isoflavones > hydroxyisoflavone > irilone-4'-o-[beta-d-glucopyranosyl-(1->6)-beta-d-glucopyranoside]
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > isoflavonoid > isoflavones > hydroxyisoflavone > irilone-4'-o-[beta-d-glucopyranosyl-(1->6)-beta-d-glucopyranoside]
... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > isoflavones > glycosyloxyisoflavone > irilone-4'-o-[beta-d-glucopyranosyl-(1->6)-beta-d-glucopyranoside]
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > isoflavonoid > isoflavones > glycosyloxyisoflavone > irilone-4'-o-[beta-d-glucopyranosyl-(1->6)-beta-d-glucopyranoside]

Preferred term

irilone-4'-o-[beta-d-glucopyranosyl-(1->6)-beta-d-glucopyranoside]  

Type

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

charge

  • 0

formula

  • C28H30O16

has_functional_parent

inchi

  • InChI=1S/C28H30O16/c29-6-15-19(31)22(34)24(36)27(43-15)39-8-16-20(32)23(35)25(37)28(44-16)42-11-3-1-10(2-4-11)12-7-38-13-5-14-26(41-9-40-14)21(33)17(13)18(12)30/h1-5,7,15-16,19-20,22-25,27-29,31-37H,6,8-9H2/t15-,16-,19-,20-,22+,23+,24-,25-,27-,28-/m1/s1

inchikey

  • MRXZOZKDGKQEMG-SKLZQIAYSA-N

mass

  • 622.52820

monoisotopicmass

  • 622.15338

smiles

  • OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc(cc3)-c3coc4cc5OCOc5c(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

subset

  • 3_STAR

synonym EXACT

  • 4-(9-hydroxy-8-oxo-8H-[1,3]dioxolo[4,5-g]chromen-7-yl)phenyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:66084

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