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Concept information

... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > flavonoid oligomer > proanthocyanidin > robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol

Preferred term

robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol  

Type

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

Broader concept

charge

  • 0

formula

  • C45H38O18

inchi

  • InChI=1S/C45H38O18/c46-18-2-4-20-30(12-18)61-43(16-8-25(50)37(56)26(51)9-16)40(59)32(20)34-36(55)22-14-29(54)42(15-1-6-23(48)24(49)7-15)63-45(22)35(39(34)58)33-21-5-3-19(47)13-31(21)62-44(41(33)60)17-10-27(52)38(57)28(53)11-17/h1-13,29,32-33,40-44,46-60H,14H2/t29-,32-,33-,40-,41-,42+,43+,44+/m0/s1

inchikey

  • QZNRDKYJASOYMZ-BLBVDZAISA-N

mass

  • 866.774

monoisotopicmass

  • 866.20581

smiles

  • O[C@H]1Cc2c(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)ccc34)c3cc(O)c(O)c(O)c3)c(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)ccc34)c3cc(O)c(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1

subset

  • 2_STAR

synonym EXACT

  • Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:8877

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