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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > azepine > tetrapetalone b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azepine > tetrapetalone b
... > 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 heterocyclic compound > organonitrogen heterocyclic compound > azepine > tetrapetalone b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azepine > tetrapetalone b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > azepine > tetrapetalone b
... > 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 heterocyclic compound > organic heteromonocyclic compound > azepine > tetrapetalone b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > azepine > tetrapetalone b

Preferred term

tetrapetalone b  

Type

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

Broader concept

charge

  • 0

formula

  • C28H35NO9

inchi

  • InChI=1S/C28H35NO9/c1-12-11-27(16(5)37-17(6)30)25(33)14(3)26(34)29(27)21-10-18(31)9-19-24(13(2)23(12)28(19,21)35)38-22-8-7-20(32)15(4)36-22/h9-11,13,15-16,20,22-24,32-33,35H,7-8H2,1-6H3/t13-,15-,16?,20-,22+,23-,24+,27-,28+/m1/s1

inchikey

  • PDESUVPLPIOXLG-QABKPCNZSA-N

mass

  • 529.586

monoisotopicmass

  • 529.23118

smiles

  • O=C1C=C2N3C(=O)C(C)=C([C@@]3(C=C([C@H]4[C@]2(O)C(=C1)[C@@H](O[C@@H]5O[C@@H]([C@H](O)CC5)C)[C@@H]4C)C)C(OC(=O)C)C)O

subset

  • 2_STAR

synonym EXACT

  • 1-[(6R,9S,10R,11S,16S)-5,16-dihydroxy-11-[(2R,5R,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-4,8,10-trimethyl-3,14-dioxo-2-azatetracyclo[7.6.1.02,6.012,16]hexadeca-1(15),4,7,12-tetraen-6-yl]ethyl acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200714

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