input word = C00040984

Metabolite InformationStructural formula
Name Glabcensin U
(-)-Glabcensin U
Formula C26H36O9
Mw 492.23593275
CAS RN 224789-79-1
C_ID C00040984 ,
InChIKey YAWUIQGSXZDPBO-OBJUBWOGNA-N
InChICode InChI=1S/C26H36O9/c1-11-20(30)26-10-25(11,31)9-15(32-12(2)27)18(26)24(7)8-16(33-13(3)28)21(34-14(4)29)23(5,6)19(24)17-22(26)35-17/h15-22,30-31H,1,8-10H2,2-7H3/t15-,16-,17+,18-,19+,20+,21-,22+,24-,25-,26-/m0/s1
SMILES C=C1[C@@H](O)[C@]23C[C@@]1(O)C[C@H](OC(C)=O)[C@H]2[C@]1(C)C[C@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)[C@H]1[C@H]1O[C@H]13
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon angustifolius var. glabrescens Ref.
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OrganismIsodon angustifolius var. glabrescens
ReferenceZhao,Phytochem.,50,(1999),123