input word = C00047577

Metabolite InformationStructural formula
Name Sootepin A
(+)-Sootepin A
Formula C31H46O5
Mw 498.33452458
CAS RN 1154518-93-0
C_ID C00047577 ,
InChIKey LSBCUXSKJRJJJU-UENHVPKWNA-N
InChICode InChI=1S/C31H46O5/c1-19(17-32)8-7-9-20(2)22-10-12-29(5)24-16-23-26(21(3)27(34)36-23)31(13-11-25(33)35-6)18-30(24,31)15-14-28(22,29)4/h8,20,22-24,26,32H,3,7,9-18H2,1-2,4-6H3/b19-8+/t20-,22-,23-,24+,26-,28-,29+,30+,31-/m1/s1
SMILES C1[C@]23[C@H]([C@]4([C@](C1)([C@H](CC4)[C@H](C)CC/C=C(\C)/CO)C)C)C[C@@H]1[C@H]([C@]2(C3)CCC(=O)OC)C(=C)C(=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeGardenia sootepensis Ref.
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