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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 > steroid saponin > (2s,3r,4r,5r,6s)-2-[(2s,3r,4s,5s)-4,5-dihydroxy-2-[(1s,4s,6r,7s,8r,9s,13r,14r,16r)-16-hydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > steroid saponin > (2s,3r,4r,5r,6s)-2-[(2s,3r,4s,5s)-4,5-dihydroxy-2-[(1s,4s,6r,7s,8r,9s,13r,14r,16r)-16-hydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
... > 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 > steroid saponin > (2s,3r,4r,5r,6s)-2-[(2s,3r,4s,5s)-4,5-dihydroxy-2-[(1s,4s,6r,7s,8r,9s,13r,14r,16r)-16-hydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > steroid saponin > (2s,3r,4r,5r,6s)-2-[(2s,3r,4s,5s)-4,5-dihydroxy-2-[(1s,4s,6r,7s,8r,9s,13r,14r,16r)-16-hydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > steroid saponin > (2s,3r,4r,5r,6s)-2-[(2s,3r,4s,5s)-4,5-dihydroxy-2-[(1s,4s,6r,7s,8r,9s,13r,14r,16r)-16-hydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > saponin > steroid saponin > (2s,3r,4r,5r,6s)-2-[(2s,3r,4s,5s)-4,5-dihydroxy-2-[(1s,4s,6r,7s,8r,9s,13r,14r,16r)-16-hydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Preferred term

(2s,3r,4r,5r,6s)-2-[(2s,3r,4s,5s)-4,5-dihydroxy-2-[(1s,4s,6r,7s,8r,9s,13r,14r,16r)-16-hydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol  

Type

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

Broader concept

charge

  • 0

formula

  • C38H58O12

inchi

  • InChI=1S/C38H58O12/c1-17-8-11-38(46-15-17)18(2)28-26(50-38)14-24-22-7-6-20-12-21(39)13-27(37(20,5)23(22)9-10-36(24,28)4)48-35-33(30(42)25(40)16-45-35)49-34-32(44)31(43)29(41)19(3)47-34/h6,18-19,21-35,39-44H,1,7-16H2,2-5H3/t18-,19-,21+,22+,23?,24?,25-,26-,27+,28-,29-,30-,31+,32+,33+,34-,35-,36-,37-,38+/m0/s1

inchikey

  • URTQATADKAKTAX-ZCTCYJARSA-N

mass

  • 706.870

monoisotopicmass

  • 706.39283

smiles

  • O1[C@@]2([C@@]([C@@]3(C([C@]4(C(CC3)[C@@]5(C(=CC4)C[C@@H](O)C[C@H]5O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H]([C@H](O)[C@@H](O)[C@H]7O)C)C)[H])C2)C)([C@@H]([C@]18OCC(CC8)=C)C)[H])[H]

subset

  • 2_STAR

synonym EXACT

  • (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S)-4,5-dihydroxy-2-[(1S,4S,6R,7S,8R,9S,13R,14R,16R)-16-hydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:182560

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