input word = C00052500

Metabolite InformationStructural formula
Name (3-beta)-Ergost-5-en-3-ol
Formula C28H48O
Mw 400.37051615
CAS RN 290299-12-6
C_ID C00052500
InChIKey SGNBVLSWZMBQTH-CKFRKXQVSA-N
InChICode InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20+,22?,23-,24?,25-,26-,27-,28+/m0/s1
SMILES OC(C1)CC[C@@]2(C)C1=CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CCC4([H])[C@H](C)CC[C@H](C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNicotiana tabacum Ref.
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