input word = C00051680

Metabolite InformationStructural formula
Name Myoscorpine
Formula C20H31NO6
Mw 381.21513773
CAS RN 82535-76-0
C_ID C00051680
InChIKey MVWPTZQHBOWRTF-ANKOLVIYNA-N
InChICode InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16-,17-,20+/m1/s1
SMILES C/C=C(C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeLithospermum erythrorhizon Ref.
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OrganismLithospermum erythrorhizon
ReferenceZhang, et al., Natural Product Research and Development(Tianran Chanwu Yanjiu Yu Kaifa), 14, (2002), 74