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

Preferred term

xylocarpus a  

Type

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

Broader concept

charge

  • 0

formula

  • C31H38O11

inchi

  • InChI=1S/C31H38O11/c1-15(32)39-25-23-26(40-16(2)33)30-18(29(6,31(23,36)42-30)19(27(25,3)4)12-21(34)37-7)8-10-28(5)20(30)13-22(35)41-24(28)17-9-11-38-14-17/h9,11,13-14,18-19,23-26,36H,8,10,12H2,1-7H3/t18?,19?,23-,24+,25?,26-,28-,29-,30?,31-/m1/s1

inchikey

  • AOUYWWJPLUTFAB-FPBLBJKUSA-N

mass

  • 586.634

monoisotopicmass

  • 586.24141

smiles

  • O1[C@]23C([C@]4([C@@]1(O)[C@@]([C@H]2OC(=O)C)(C(OC(=O)C)C(C4CC(OC)=O)(C)C)[H])C)CC[C@@]5(C3=CC(O[C@H]5C=6C=COC6)=O)C

subset

  • 2_STAR

synonym EXACT

  • methyl 2-[(1S,6R,7R,11S,15R,16R,18R)-14,18-diacetyloxy-6-(uran-3-yl)-16-hydroxy-7,11,13,13-tetramethyl-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadec-2-en-12-yl]acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:188062

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