skip to main content

Chemistry, part 2

Content language

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

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 ii (digalloyl-hhdp-hex)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > polyphenol > tannin > pedunculagin ii (digalloyl-hhdp-hex)
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenols > polyphenol > tannin > pedunculagin ii (digalloyl-hhdp-hex)
... > 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 ii (digalloyl-hhdp-hex)
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenols > polyphenol > tannin > pedunculagin ii (digalloyl-hhdp-hex)

Preferred term

pedunculagin ii (digalloyl-hhdp-hex)  

Type

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

Broader concept

charge

  • 0

formula

  • C34H26O22

inchi

  • InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(48)55-29-27(47)34(56-31(49)9-3-14(37)22(42)15(38)4-9)53-18-7-52-32(50)10-5-16(39)23(43)25(45)19(10)20-11(33(51)54-28(18)29)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-47H,7H2

inchikey

  • NLDMNSXOCDLTTB-UHFFFAOYSA-N

mass

  • 786.560

monoisotopicmass

  • 786.09157

smiles

  • O=C1OC2C(OC(=O)C3=CC(O)=C(O)C(=C3)O)C(O)C(OC(=O)C4=CC(O)=C(O)C(=C4)O)OC2COC(C=5C(C6=C1C=C(O)C(=C6O)O)=C(O)C(O)=C(O)C5)=O

subset

  • 2_STAR

synonym EXACT

  • [3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-13-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:167703

Download this concept:

RDF/XML TURTLE JSON-LD