input word = C00048105

Metabolite InformationStructural formula
Name Sculponeatin D
Formula C20H28O8
Mw 396.17841787
CAS RN 137293-41-5
C_ID C00048105 ,
InChIKey BEIZFHXFUBNIFJ-UHFFFAOYNA-N
InChICode InChI=1S/C20H28O8/c1-8-9-5-10(22)12-19(6-9,14(8)24)16(26)28-17-20(12)11(23)3-4-18(2,7-21)13(20)15(25)27-17/h9-15,17,21-25H,1,3-7H2,2H3/t9-,10+,11+,12-,13-,14+,15-,17-,18+,19+,20-/m0/s1
SMILES O1[C@H]2[C@@]3([C@@H]4[C@]5(C1=O)C[C@H](C[C@H]4O)C(=C)[C@H]5O)[C@@H]([C@H](O2)O)[C@](CC[C@H]3O)(CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon sculponeata Ref.
PlantaeLabiataeIsodon sculponeatus Ref.
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