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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 > triterpenoid > (1r,3s,5r,7r,8r,10s,13s,14r,15r,18r)-6,6,10,14,18-pentamethyl-15-[(2r,5r)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadec-11-ene-7,8,13-triol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > (1r,3s,5r,7r,8r,10s,13s,14r,15r,18r)-6,6,10,14,18-pentamethyl-15-[(2r,5r)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadec-11-ene-7,8,13-triol

Preferred term

(1r,3s,5r,7r,8r,10s,13s,14r,15r,18r)-6,6,10,14,18-pentamethyl-15-[(2r,5r)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadec-11-ene-7,8,13-triol  

Type

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

Broader concept

charge

  • 0

formula

  • C30H50O7

inchi

  • InChI=1S/C30H50O7/c1-25(2)19-13-23-30(37-23)20(27(19,5)14-18(32)24(25)35)12-22(34)29(7)17(10-11-28(29,30)6)16(15-31)8-9-21(33)26(3,4)36/h12,16-19,21-24,31-36H,8-11,13-15H2,1-7H3/t16-,17+,18+,19-,21+,22-,23-,24-,27-,28+,29-,30+/m0/s1

inchikey

  • ZYYDWVOQLORFKO-XJZLRMNFSA-N

mass

  • 522.723

monoisotopicmass

  • 522.35565

smiles

  • O1[C@@]23C(=C[C@H](O)[C@]4([C@]2(CC[C@@H]4[C@H](CO)CC[C@@H](O)C(O)(C)C)C)C)[C@]5(C[C@@H](O)[C@@H](C([C@@H]5C[C@H]13)(C)C)O)C

subset

  • 2_STAR

synonym EXACT

  • (1R,3S,5R,7R,8R,10S,13S,14R,15R,18R)-6,6,10,14,18-pentamethyl-15-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadec-11-ene-7,8,13-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201089

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