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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 > sesterterpenoid > scalarane sesterterpenoid > (2r,7r,8r,9r,10s,20s)-7,8,9,19-tetrahydroxy-6,17-bis(hydroxymethyl)-2,6,10,17-tetramethylhexacyclo[12.8.1.01,14.02,11.05,10.015,20]tricos-12-ene-20-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesterterpenoid > scalarane sesterterpenoid > (2r,7r,8r,9r,10s,20s)-7,8,9,19-tetrahydroxy-6,17-bis(hydroxymethyl)-2,6,10,17-tetramethylhexacyclo[12.8.1.01,14.02,11.05,10.015,20]tricos-12-ene-20-carboxylic acid

Preferred term

(2r,7r,8r,9r,10s,20s)-7,8,9,19-tetrahydroxy-6,17-bis(hydroxymethyl)-2,6,10,17-tetramethylhexacyclo[12.8.1.01,14.02,11.05,10.015,20]tricos-12-ene-20-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C30H46O8

inchi

  • InChI=1S/C30H46O8/c1-24(14-31)11-18-28-8-6-17-26(3,29(28,13-28)9-10-30(18,23(37)38)19(33)12-24)7-5-16-25(2,15-32)21(35)20(34)22(36)27(16,17)4/h6,8,16-22,31-36H,5,7,9-15H2,1-4H3,(H,37,38)/t16?,17?,18?,19?,20-,21-,22-,24?,25?,26+,27-,28?,29?,30-/m0/s1

inchikey

  • IXIMDUAPYHOVHL-QQQCTMDWSA-N

mass

  • 534.690

monoisotopicmass

  • 534.31927

smiles

  • OC1[C@]2(C(C34C(C3)([C@]5(C([C@@]6(C(CC5)C([C@@H](O)[C@H](O)[C@@H]6O)(CO)C)C)C=C4)C)CC2)CC(C1)(CO)C)C(O)=O

subset

  • 2_STAR

synonym EXACT

  • (2R,7R,8R,9R,10S,20S)-7,8,9,19-tetrahydroxy-6,17-bis(hydroxymethyl)-2,6,10,17-tetramethylhexacyclo[12.8.1.01,14.02,11.05,10.015,20]tricos-12-ene-20-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181879

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