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 > ascotricin a
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > polyphenol > tannin > ascotricin a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenols > polyphenol > tannin > ascotricin a
... > 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 > ascotricin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenols > polyphenol > tannin > ascotricin a

Preferred term

ascotricin a  

Type

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

Broader concept

charge

  • 0

formula

  • C27H34O11

inchi

  • InChI=1S/C27H34O11/c1-3-5-6-8-14-9-16(28)12-18(10-14)36-26(35)20-15(7-4-2)11-17(29)13-19(20)37-27-23(32)21(30)22(31)24(38-27)25(33)34/h9-13,21-24,27-32H,3-8H2,1-2H3,(H,33,34)/t21-,22+,23+,24-,27+/m0/s1

inchikey

  • JNOJSCYIQCAMEB-QEXRHJMMSA-N

mass

  • 534.558

monoisotopicmass

  • 534.21011

smiles

  • O=C(OC1=CC(O)=CC(=C1)CCCCC)C2=C(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H]([C@H]3O)O)C=C(O)C=C2CCC

subset

  • 2_STAR

synonym EXACT

  • (2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(3-hydroxy-5-pentylphenoxy)carbonyl-3-propylphenoxy]oxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214650

Download this concept:

RDF/XML TURTLE JSON-LD