input word = C00048108

Metabolite InformationStructural formula
Name Sculponin F
(-)-Sculponin F
Formula C22H30O8
Mw 422.19406794
CAS RN 1182713-61-6
C_ID C00048108 ,
InChIKey ALIFBGCDGDBHLU-HLXXIDHNNA-N
InChICode InChI=1S/C22H30O8/c1-9-11-5-12(24)15-21(7-11,17(9)29-10(2)23)19(27)30-14-6-13(25)20(3,4)16-18(26)28-8-22(14,15)16/h11-18,24-26H,1,5-8H2,2-4H3/t11-,12+,13+,14+,15-,16-,17-,18-,21+,22+/m1/s1
SMILES C1[C@H]2C(=C)[C@H]([C@@]3([C@@H]([C@H]1O)[C@]14[C@@H](OC3=O)C[C@@H](C([C@H]1[C@H](O)OC4)(C)C)O)C2)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon sculponeatus Ref.
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