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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 > isoprenoid > terpenoid > terpene glycoside > [6,7-dihydroxy-7-(hydroxymethyl)-4-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1h-cyclopenta[c]pyran-1-yl] 3-methylbutanoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > terpene glycoside > [6,7-dihydroxy-7-(hydroxymethyl)-4-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1h-cyclopenta[c]pyran-1-yl] 3-methylbutanoate
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > terpene glycoside > [6,7-dihydroxy-7-(hydroxymethyl)-4-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1h-cyclopenta[c]pyran-1-yl] 3-methylbutanoate

Preferred term

[6,7-dihydroxy-7-(hydroxymethyl)-4-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1h-cyclopenta[c]pyran-1-yl] 3-methylbutanoate  

Type

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

Broader concept

charge

  • 0

formula

  • C21H34O12

inchi

  • InChI=1S/C21H34O12/c1-9(2)3-14(25)33-19-15-11(4-13(24)21(15,29)8-23)10(6-30-19)7-31-20-18(28)17(27)16(26)12(5-22)32-20/h6,9,11-13,15-20,22-24,26-29H,3-5,7-8H2,1-2H3/t11?,12-,13?,15?,16-,17+,18-,19?,20-,21?/m1/s1

inchikey

  • HOCKGUMMVOPFFC-IWWDQQOVSA-N

mass

  • 478.491

monoisotopicmass

  • 478.20503

smiles

  • OC1(C2C(CC1O)C(=COC2OC(=O)CC(C)C)CO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)CO

subset

  • 2_STAR

synonym EXACT

  • [6,7-dihydroxy-7-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:182571

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