input word = C00040982

Metabolite InformationStructural formula
Name Glabcensin S
(-)-Glabcensin S
Formula C30H40O12
Mw 592.25197674
CAS RN 224789-77-9
C_ID C00040982 ,
InChIKey NVQMITICJWEMPY-HYFRHVMVNA-N
InChICode InChI=1S/C30H40O12/c1-13-24(36)30-12-29(13,37)11-19(38-14(2)31)22(30)28(9)10-20(39-15(3)32)25(41-17(5)34)27(7,8)23(28)21(40-16(4)33)26(30)42-18(6)35/h19-23,25-26,37H,1,10-12H2,2-9H3/t19-,20-,21+,22-,23+,25-,26-,28-,29-,30-/m0/s1
SMILES [C@H]1([C@@H](C([C@@H]2[C@@](C1)([C@H]1[C@@]3([C@H]([C@@H]2OC(=O)C)OC(=O)C)C[C@@](C[C@@H]1OC(=O)C)(C(=C)C3=O)O)C)(C)C)OC(=O)C)OC(=O)C
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