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Concept information

Preferred term

asperiene c  

Type

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

Broader concept

charge

  • 0

formula

  • C23H32O7

inchi

  • InChI=1S/C23H32O7/c1-14(24)16(25)8-5-6-9-18(26)30-17-12-15-13-29-20(27)23(15,28)22(4)11-7-10-21(2,3)19(17)22/h5-6,8-9,12,14,16-17,19,24-25,28H,7,10-11,13H2,1-4H3/t14-,16+,17-,19+,22+,23+/m1/s1

inchikey

  • AVBLSPPEZPLINV-GIUIKPSISA-N

mass

  • 420.502

monoisotopicmass

  • 420.21480

smiles

  • O=C1OCC=2[C@@]1(O)[C@@]3([C@H](C(CCC3)(C)C)[C@@H](C2)OC(=O)C=CC=C[C@H](O)[C@H](O)C)C

subset

  • 2_STAR

synonym EXACT

  • [(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzouran-5-yl] (6S,7R)-6,7-dihydroxyocta-2,4-dienoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:208935

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