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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > phenols > polyphenol > tannin > pedunculagin
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > polyphenol > tannin > pedunculagin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenols > polyphenol > tannin > pedunculagin
... > 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 > phenols > polyphenol > tannin > pedunculagin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenols > polyphenol > tannin > pedunculagin

Preferred term

pedunculagin  

Type

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

Broader concept

charge

  • 0

formula

  • C34H24O22

inchi

  • InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34?/m1/s1

inchikey

  • IYMHVUYNBVWXKH-ZITZVVOASA-N

mass

  • 784.543

monoisotopicmass

  • 784.07592

smiles

  • OC1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@H]12

subset

  • 2_STAR

synonym EXACT

  • Pedunculagin

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:7948

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