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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 > tetracyclic triterpenoid > cucurbitacin > (24e)-3beta-hydroxycucurbita-5,24-diene-26,29-dioic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > tetracyclic triterpenoid > cucurbitacin > (24e)-3beta-hydroxycucurbita-5,24-diene-26,29-dioic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > organic tetracyclic compound > tetracyclic triterpenoid > cucurbitacin > (24e)-3beta-hydroxycucurbita-5,24-diene-26,29-dioic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > organic tetracyclic compound > tetracyclic triterpenoid > cucurbitacin > (24e)-3beta-hydroxycucurbita-5,24-diene-26,29-dioic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > organic tetracyclic compound > tetracyclic triterpenoid > cucurbitacin > (24e)-3beta-hydroxycucurbita-5,24-diene-26,29-dioic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > organic tetracyclic compound > tetracyclic triterpenoid > cucurbitacin > (24e)-3beta-hydroxycucurbita-5,24-diene-26,29-dioic acid

Preferred term

(24e)-3beta-hydroxycucurbita-5,24-diene-26,29-dioic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C30H46O5

inchi

  • InChI=1S/C30H46O5/c1-18(8-7-9-19(2)25(32)33)20-14-15-29(5)23-12-10-22-21(27(23,3)16-17-28(20,29)4)11-13-24(31)30(22,6)26(34)35/h9-10,18,20-21,23-24,31H,7-8,11-17H2,1-6H3,(H,32,33)(H,34,35)/b19-9+/t18?,20-,21-,23-,24+,27+,28-,29+,30-/m1/s1

inchikey

  • HRYAAXQQFUABSY-NWKDZZQZSA-N

mass

  • 486.693

monoisotopicmass

  • 486.33452

smiles

  • O=C(O)/C(=C/CCC([C@@H]1[C@@]2([C@@]([C@H]3[C@@]([C@H]4C([C@@](C(=O)O)([C@@H](O)CC4)C)=CC3)(C)CC2)(C)CC1)C)C)/C

subset

  • 2_STAR

synonym EXACT

  • (3S,4R,8R,9R,10S,13R,14S,17R)-17-[(E)-6-carboxyhept-5-en-2-yl]-3-hydroxy-4,9,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206470

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