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

Preferred term

protoxylocarpin c  

Type

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

Broader concept

charge

  • 0

formula

  • C34H54O6

has_role

inchi

  • InChI=1S/C34H54O6/c1-10-38-29-20(18-22(40-29)28(37)31(5,6)39-11-2)21-12-13-23-32(21,7)16-14-24-33(8)17-15-26(35)30(3,4)25(33)19-27(36)34(23,24)9/h13,15,17,20-22,24-25,27-29,36-37H,10-12,14,16,18-19H2,1-9H3/t20-,21-,22+,24+,25-,27+,28+,29+,32-,33+,34-/m0/s1

inchikey

  • OFUNGYZREUEBNU-YCDMDWGMSA-N

mass

  • 558.78900

monoisotopicmass

  • 558.39204

smiles

  • [H][C@@]1(C[C@]([H])([C@H](OCC)O1)[C@]1([H])CC=C2[C@@]1(C)CC[C@@]1([H])[C@@]2(C)[C@H](O)C[C@@]2([H])C(C)(C)C(=O)C=C[C@]12C)[C@@H](O)C(C)(C)OCC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:66782

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