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Chemistry, part 2

Content language

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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 > limonoid > humilin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > limonoid > humilin b

Preferred term

humilin b  

Type

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

Broader concept

charge

  • 0

formula

  • C31H40O10

inchi

  • InChI=1S/C31H40O10/c1-15(2)23(34)40-25-27(3,4)18(12-20(32)37-7)29(6)17-8-10-28(5)19(31(17)26(41-31)30(25,36)24(29)35)13-21(33)39-22(28)16-9-11-38-14-16/h9,11,14-15,17-19,22,25-26,36H,8,10,12-13H2,1-7H3/t17?,18-,19?,22-,25-,26+,28+,29+,30-,31+/m0/s1

inchikey

  • LOOFGUAWTZPQEG-BWSSPMROSA-N

mass

  • 572.651

monoisotopicmass

  • 572.26215

smiles

  • O1[C@@]23C([C@@]4([C@H](C([C@H](OC(=O)C(C)C)[C@](O)([C@@]12[H])C4=O)(C)C)CC(OC)=O)C)CC[C@@]5(C3CC(O[C@H]5C=6C=COC6)=O)C

subset

  • 2_STAR

synonym EXACT

  • [(1S,2R,4S,9R,10R,14S,15S,17S)-9-(uran-3-yl)-1-hydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadecan-17-yl] 2-methylpropanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:182845

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