input word = C00041661

Metabolite InformationStructural formula
Name Maoyecrystal J
(-)-Maoyecrystal J
Formula C20H26O5
Mw 346.17802394
CAS RN 791837-57-5
C_ID C00041661 ,
InChIKey APGSCPHBCNRGPE-FAHIYMKMNA-N
InChICode InChI=1S/C20H26O5/c1-10-11-4-5-12-18-9-25-20(24,19(12,8-11)15(10)22)16(23)14(18)17(2,3)7-6-13(18)21/h4-5,11-14,16,21,23-24H,1,6-9H2,2-3H3/t11-,12+,13+,14-,16+,18-,19+,20-/m1/s1
SMILES [C@H]1([C@]23[C@@H](C(CC1)(C)C)[C@@H]([C@]([C@@]14[C@H]2C=C[C@@H](C(=C)C1=O)C4)(OC3)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon parvifolius Ref.
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OrganismIsodon parvifolius
ReferenceLi,J.Nat.Prod.,69,(2006),645