input word = C00032354

Metabolite InformationStructural formula
Name Thurberogenin
Formula C30H46O3
Mw 454.34469533
CAS RN 13950-48-6
C_ID C00032354 ,
InChIKey XRJXVZNUDDYRNJ-APLQRWTQNA-N
InChICode InChI=1S/C30H46O3/c1-17(2)23-19-16-30(25(32)33-19)15-14-28(6)18(24(23)30)8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-29(21,28)7/h18-24,31H,1,8-16H2,2-7H3/t18-,19+,20+,21-,22+,23-,24-,27+,28-,29-,30-/m1/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@H]1[C@]3(CC2)C(=O)O[C@H]([C@H]1C(=C)C)C3)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCactaceaeStenocereus eruca Ref.
--Lemaireocereus thurberi Ref.
--Machaerocereus eruca Ref.
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OrganismMachaerocereus eruca
ReferenceYe,J.Nat.Prod.,61,(1998),456