input word = C00064618

Metabolite InformationStructural formula
Name Buergerinin B
Formula C9H14O5
Mw 202.08412356
CAS RN 919769-83-8
C_ID C00064618
InChIKey
InChICode InChI=1S/C9H14O5/c1-8(12)2-6(10)9(13)3-7(11)14-4-5(8)9/h5-6,10,12-13H,2-4H2,1H3/t5-,6-,8+,9+/m1/s1;InChI=1S/C9H14O5/c1-8(12)2-6(10)9(13)3-7(11)14-4-5(8)9/h5-6,10,12-13H,2-4H2,1H3/t5-,6-,8+,9+/m0/s1;InChI=1S/C9H14O5/c1-8(12)2-6(10)9(13)3-7(11)14-4-5(8)9/h5-6,10,12-13H,2-4H2,1H3;InChI=1S/C9H14O5/c1-8(12)2-6(10)9(13)3-7(11)14-4-5(8)9/h5-6,10,12-13H,2-4H2,1H3/t5-,6?,8-,9-/m0/s1
SMILES CC1(O)CC(O)C2(O)CC(=O)OCC12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia buergeriana Ref.
PlantaeScrophulariaceaeScrophularia ningpoensis Ref.
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