Concept information
...
organic molecular entity
organic hydroxy compound
alpha-hydroxy ketone
tertiary alpha-hydroxy ketone
...
organic cyclic compound
organic polycyclic compound
organic tricyclic compound
organic heterotricyclic compound
...
organic cyclic compound
organic polycyclic compound
organic tricyclic compound
organic heterotricyclic compound
...
organic cyclic compound
organic polycyclic compound
organic tricyclic compound
organic heterotricyclic compound
...
polycyclic compound
organic polycyclic compound
organic tricyclic compound
organic heterotricyclic compound
...
organic cyclic compound
organic heterocyclic compound
organic heteropolycyclic compound
organic heterotricyclic compound
...
organic cyclic compound
organic heterocyclic compound
organic heteropolycyclic compound
organic heterotricyclic compound
Preferred term
leucosesterterpenone
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C25H36O7
has_role
- CHEBI:48422
- CHEBI:76779
- metabolite
inchi
- InChI=1S/C25H36O7/c1-12-10-23(29)24(30,22(28)15(4)8-18-19(26)9-14(3)21(18)27)20-13(2)6-7-17(20)16(5)25(23,31)32-11-12/h9-10,13,15-20,26,29-31H,6-8,11H2,1-5H3/t13-,15+,16-,17-,18+,19-,20+,23-,24-,25-/m1/s1
inchikey
- WREVESBXGFRQJD-PHRJMFLCSA-N
mass
- 448.54910
monoisotopicmass
- 448.24610
smiles
- [H][C@]12CC[C@@H](C)[C@]1([H])[C@@](O)(C(=O)[C@@H](C)C[C@H]1[C@H](O)C=C(C)C1=O)[C@]1(O)C=C(C)CO[C@]1(O)[C@@H]2C
subset
- 3_STAR
synonym EXACT
- (4R,5S)-4-hydroxy-2-methyl-5-{(2S)-2-methyl-3-oxo-3-[(4aR,5S,5aS,6R,8aS,9R,9aR)-4a,5,9a-trihydroxy-3,6,9-trimethyl-2,4a,5,5a,6,7,8,8a,9,9a-decahydrocyclopenta[g]chromen-5-yl]propyl}cyclopent-2-en-1-one
In other languages
-
Persian
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:66572
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