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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > flavonoid oligomer > 3,3'-digalloylprocyanidin b2
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > flavonoid oligomer > 3,3'-digalloylprocyanidin b2
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > flavonoid oligomer > 3,3'-digalloylprocyanidin b2
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > flavonoid oligomer > 3,3'-digalloylprocyanidin b2
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > flavonoid oligomer > 3,3'-digalloylprocyanidin b2
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > flavonoid oligomer > 3,3'-digalloylprocyanidin b2
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > flavonoid oligomer > 3,3'-digalloylprocyanidin b2
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > flavonoid oligomer > 3,3'-digalloylprocyanidin b2
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzopyran > 1-benzopyran > flavonoid oligomer > 3,3'-digalloylprocyanidin b2
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzopyran > 1-benzopyran > flavonoid oligomer > 3,3'-digalloylprocyanidin b2
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzopyran > 1-benzopyran > flavonoid oligomer > 3,3'-digalloylprocyanidin b2

Preferred term

3,3'-digalloylprocyanidin b2  

Type

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

Broader concept

charge

  • 0

formula

  • C44H34O20

inchi

  • InChI=1S/C44H34O20/c45-19-11-26(51)34-32(12-19)61-40(16-2-4-22(47)25(50)6-16)42(64-44(60)18-9-30(55)38(58)31(56)10-18)36(34)35-27(52)14-23(48)20-13-33(62-43(59)17-7-28(53)37(57)29(54)8-17)39(63-41(20)35)15-1-3-21(46)24(49)5-15/h1-12,14,33,36,39-40,42,45-58H,13H2/t33-,36-,39-,40-,42-/m1/s1

inchikey

  • KTLUHRSHFRODPS-RIQPQZJCSA-N

mass

  • 882.736

monoisotopicmass

  • 882.16434

smiles

  • O1[C@@H]([C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@](C=3C=4O[C@@H]([C@H](OC(=O)C5=CC(O)=C(O)C(O)=C5)CC4C(O)=CC3O)C6=CC(O)=C(O)C=C6)(C=7C1=CC(O)=CC7O)[H])C8=CC(O)=C(O)C=C8

subset

  • 2_STAR

synonym EXACT

  • [(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:172846

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