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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 > carbon group molecular entity > organic molecular entity > lipid > steroid > ergostanoid > erinarol b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > erinarol 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 polycyclic compound > steroid > ergostanoid > erinarol b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > ergostanoid > erinarol b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > ergostanoid > erinarol b

Preferred term

erinarol b  

Type

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

Broader concept

charge

  • 0

formula

  • C46H74O4

inchi

  • InChI=1S/C46H74O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(48)49-42-41-38-27-26-37(35(5)25-24-34(4)33(2)3)44(38,6)30-29-39(41)45(7)31-28-36(47)32-46(45)43(42)50-46/h12-13,15-16,24-25,33-37,39,42-43,47H,8-11,14,17-23,26-32H2,1-7H3/b13-12-,16-15-,25-24+/t34-,35+,36-,37+,39-,42-,43-,44+,45+,46-/m0/s1

inchikey

  • MGFBXSWNQHWTJQ-SPHUGTQJSA-N

mass

  • 691.094

monoisotopicmass

  • 690.55871

smiles

  • O=C(O[C@H]1C2=C3[C@@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC3)(CC[C@@H]2[C@]4(CC[C@@H](C[C@@]54[C@H]1O5)O)C)C)CCCCCCC/C=C/C/C=C/CCCCC

subset

  • 2_STAR

synonym EXACT

  • [(1S,2R,5S,7R,9S,10S,15R,16R)-15-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-5-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-11-en-10-yl] (9Z,12Z)-octadeca-9,12-dienoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207309

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