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Concept information

Preferred term

megathyrin a  

Type

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

charge

  • 0

formula

  • C20H28O5

has_parent_hydride

inchi

  • InChI=1S/C20H28O5/c1-10-11-4-5-12-18-9-25-19(24,20(12,15(10)22)16(11)23)8-13(18)17(2,3)7-6-14(18)21/h11-14,16,21,23-24H,1,4-9H2,2-3H3/t11-,12-,13+,14-,16+,18-,19+,20-/m0/s1

inchikey

  • VPZCKRKZFRCZMX-FINWQXJNSA-N

mass

  • 348.43330

monoisotopicmass

  • 348.19367

smiles

  • [H][C@@]12CC[C@@H]3[C@@H](O)[C@]1(C(=O)C3=C)[C@@]1(O)C[C@]3([H])C(C)(C)CC[C@H](O)[C@@]23CO1

subset

  • 3_STAR

synonym EXACT

  • (1alpha,5beta,7beta,8alpha,9beta,10alpha,13alpha,14R)-1,7,14-trihydroxy-7,20-epoxykaur-16-en-15-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:66689

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