input word = C00046387

Metabolite InformationStructural formula
Name Sclerophytin A
Formula C20H34O4
Mw 338.24570957
CAS RN 117176-35-9
C_ID C00046387 ,
InChIKey BEAXQAULPSVWQY-HBWCZRPDNA-N
InChICode InChI=1S/C20H34O4/c1-11(2)13-7-6-12(3)16-14-10-20(5,23)15(21)8-9-19(4,22)18(24-14)17(13)16/h11,13-18,21-23H,3,6-10H2,1-2,4-5H3/t13-,14-,15+,16-,17-,18-,19-,20+/m1/s1
SMILES C1[C@@H]([C@@](C[C@@H]2[C@@H]3[C@H]([C@H]([C@@](C1)(O)C)O2)[C@H](CCC3=C)C(C)C)(C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Virgularia juncea Ref.
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