input word = C00036477

Metabolite InformationStructural formula
Name 24S,25-Dihydroxytirucall-7-en-3-one
Formula C30H50O3
Mw 458.37599546
CAS RN 220864-17-5
C_ID C00036477 ,
InChIKey ZDOLIOLHSICTGE-ZFIBZORJNA-N
InChICode InChI=1S/C30H50O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-30(8)22-10-11-23-26(2,3)24(31)15-16-28(23,6)21(22)14-18-29(20,30)7/h10,19-21,23,25,32-33H,9,11-18H2,1-8H3/t19-,20-,21-,23-,25-,28+,29-,30+/m0/s1
SMILES C1C(=O)C([C@H]2[C@](C1)([C@@H]1C(=CC2)[C@@]2([C@@](CC1)([C@@H](CC2)[C@H](CC[C@@H](C(C)(C)O)O)C)C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium doianum Ref.
PlantaeMeliaceaeOwenia cepiodora Ref.
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OrganismOwenia cepiodora
ReferenceMulholland,Phytochem.,49,(1998),2457