input word = C00032664

Metabolite InformationStructural formula
Name 5-beta-14-Dihydroxy-bufa-3,20,22-trienolide
Formula C24H32O4
Mw 384.23005951
CAS RN 26849-56-9
C_ID C00032664 ,
InChIKey IQRPHRMIXCXFEN-NZWPLNENNA-N
InChICode InChI=1S/C24H32O4/c1-21-10-3-4-11-23(21,26)13-8-19-18(21)7-12-22(2)17(9-14-24(19,22)27)16-5-6-20(25)28-15-16/h4-6,11,15,17-19,26-27H,3,7-10,12-14H2,1-2H3/t17-,18+,19-,21-,22-,23-,24+/m1/s1
SMILES C1C=C[C@@]2([C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H](CC2)c1ccc(=O)oc1)C)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeUrginea maritima Ref.
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OrganismUrginea maritima
ReferenceIizuka,Chem.Pharm.Bull.,49,(2001),282