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Chemistry, part 2

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Concept information

... > organooxygen compound > ether > cyclic ether > epoxide > trichothecene > roritoxin a
... > organooxygen compound > oxacycle > cyclic ether > epoxide > trichothecene > roritoxin a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > epoxide > trichothecene > roritoxin a
... > 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 heterocyclic compound > oxacycle > cyclic ether > epoxide > trichothecene > roritoxin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > epoxide > trichothecene > roritoxin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > sesquiterpenoid > trichothecene > roritoxin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > sesquiterpenoid > trichothecene > roritoxin a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > trichothecene > roritoxin a
... > 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 heterocyclic compound > organic heteropolycyclic compound > trichothecene > roritoxin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > trichothecene > roritoxin a

Preferred term

roritoxin a  

Type

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

Broader concept

charge

  • 0

formula

  • C29H34O10

inchi

  • InChI=1S/C29H34O10/c1-16-6-9-27-14-34-22(31)12-17-7-10-35-28(23(32)25(33)39-24(17)28)8-4-3-5-21(30)38-18-13-20(37-19(27)11-16)29(15-36-29)26(18,27)2/h3-5,8,11-12,18-20,23-25,32-33H,6-7,9-10,13-15H2,1-2H3/b5-3-,8-4+,17-12-/t18-,19-,20-,23?,24-,25?,26-,27-,28-,29?/m1/s1

inchikey

  • BBRXIMOXXQYCCP-DJRRHNPHSA-N

mass

  • 542.581

monoisotopicmass

  • 542.21520

smiles

  • O=C1OC[C@@]23[C@@]4(C5(OC5)[C@H](O[C@@H]2C=C(C)CC3)C[C@H]4OC(=O)C=CC=C[C@@]67[C@@H](C(=C1)CCO6)OC(O)C7O)C

subset

  • 2_STAR

synonym EXACT

  • (1R,2E,4Z,8R,9S,11R,13R,18R,22E,24R)-26,27-dihydroxy-9,15-dimethylspiro[7,12,20,25,28-pentaoxahexacyclo[21.4.3.18,11.01,24.09,18.013,18]hentriaconta-2,4,14,22-tetraene-10,2'-oxirane]-6,21-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218044

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