skip to main content

Chemistry, part 1

Content language

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

Concept information

organooxygen compound > xylaromanone a

Preferred term

xylaromanone a  

Type

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

Broader concept

charge

  • 0

formula

  • C32H30O14

has_functional_parent

inchi

  • InChI=1S/C32H30O14/c1-13-9-19-25(18(35)11-31(45-19,29(39)41-3)20-7-8-21(36)43-20)26(38)23(13)15-5-6-16(33)24-17(34)12-32(30(40)42-4,46-27(15)24)28-14(2)10-22(37)44-28/h5-6,9,14,20,28,33,38H,7-8,10-12H2,1-4H3/t14-,20-,28-,31+,32+/m0/s1

inchikey

  • ASTGPHLKNTXTLO-RIIHTXOTSA-N

mass

  • 638.578

monoisotopicmass

  • 638.16356

smiles

  • O=C1C2=C(O)C(C3=C4O[C@@](C(=O)OC)([C@H]5OC(=O)C[C@@H]5C)CC(C4=C(O)C=C3)=O)=C(C)C=C2O[C@@](C1)(C(=O)OC)[C@H]6OC(=O)CC6

subset

  • 2_STAR

synonym EXACT

  • methyl (2R)-5-hydroxy-6-[(2R)-5-hydroxy-2-methoxycarbonyl-2-[(2S,3S)-3-methyl-5-oxooxolan-2-yl]-4-oxo-3H-chromen-8-yl]-7-methyl-4-oxo-2-[(2S)-5-oxooxolan-2-yl]-3H-chromene-2-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217696

Download this concept:

RDF/XML TURTLE JSON-LD