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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 > diterpenoid > diterpene glycoside > (5xi,6alpha,7alpha,9xi,16xi)-16-(beta-d-glucopyranosyloxy)-6,7,17-trihydroxykauran-19-oic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > diterpene glycoside > (5xi,6alpha,7alpha,9xi,16xi)-16-(beta-d-glucopyranosyloxy)-6,7,17-trihydroxykauran-19-oic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > terpene glycoside > diterpene glycoside > (5xi,6alpha,7alpha,9xi,16xi)-16-(beta-d-glucopyranosyloxy)-6,7,17-trihydroxykauran-19-oic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > terpene glycoside > diterpene glycoside > (5xi,6alpha,7alpha,9xi,16xi)-16-(beta-d-glucopyranosyloxy)-6,7,17-trihydroxykauran-19-oic acid
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > terpene glycoside > diterpene glycoside > (5xi,6alpha,7alpha,9xi,16xi)-16-(beta-d-glucopyranosyloxy)-6,7,17-trihydroxykauran-19-oic acid

Preferred term

(5xi,6alpha,7alpha,9xi,16xi)-16-(beta-d-glucopyranosyloxy)-6,7,17-trihydroxykauran-19-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C26H42O11

inchi

  • InChI=1S/C26H42O11/c1-23-6-3-7-24(2,22(34)35)19(23)18(32)20(33)25-8-12(4-5-14(23)25)26(10-25,11-28)37-21-17(31)16(30)15(29)13(9-27)36-21/h12-21,27-33H,3-11H2,1-2H3,(H,34,35)/t12?,13-,14?,15-,16+,17-,18?,19?,20-,21+,23-,24+,25?,26?/m1/s1

inchikey

  • QUCGBWQRLWOVBR-CIWVQATKSA-N

mass

  • 530.611

monoisotopicmass

  • 530.27271

smiles

  • O(C1(C2CC3(C([C@@]4(C(C(O)[C@H]3O)[C@@](CCC4)(C)C(O)=O)C)CC2)C1)CO)[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO

subset

  • 2_STAR

synonym EXACT

  • (2S,3R,5S,9R)-2,3-dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:189261

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