input word = C00037458

Metabolite InformationStructural formula
Name Macrocalin B
Formula C20H26O6
Mw 362.17293856
CAS RN 93781-75-0
C_ID C00037458 ,
InChIKey GSRZMSWBSLHHAD-FRZNRLFCNA-N
InChICode InChI=1S/C20H26O6/c1-8-9-7-10(21)11-18-6-4-5-17(2,3)12(18)14(23)20(24)19(11,13(8)22)15(9)25-16(18)26-20/h9-12,14-16,21,23-24H,1,4-7H2,2-3H3/t9-,10-,11-,12+,14-,15-,16-,18+,19-,20+/m0/s1
SMILES C=C1C(=O)C23[C@H]4O[C@H]5O[C@]2(O)[C@@H](O)[C@@H]2C(C)(C)CCCC52[C@@H]3[C@@H](O)C[C@@H]14
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon enanderianus Ref.
PlantaeLabiataeIsodon xerophilus Ref.
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