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 C=C(C)[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]23C[C@@H]1OC3=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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