input word = C00047578

Metabolite InformationStructural formula
Name Sootepin B
(+)-Sootepin B
Formula C30H44O4
Mw 468.32395989
CAS RN 1154518-94-1
C_ID C00047578 ,
InChIKey PMBICSRADRKKMH-ZIGXIUJPNA-N
InChICode InChI=1S/C30H44O4/c1-18(2)8-7-9-19(3)21-10-12-28(6)23-16-22-25(20(4)26(33)34-22)30(13-11-24(31)32)17-29(23,30)15-14-27(21,28)5/h8,19,21-23,25H,4,7,9-17H2,1-3,5-6H3,(H,31,32)/t19-,21-,22-,23+,25-,27-,28+,29+,30-/m1/s1
SMILES C1[C@]23[C@H]([C@]4([C@](C1)([C@H](CC4)[C@H](C)CCC=C(C)C)C)C)C[C@@H]1[C@H]([C@]2(C3)CCC(=O)O)C(=C)C(=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeGardenia sootepensis Ref.
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