input word = C00040983

Metabolite InformationStructural formula
Name Glabcensin T
(-)-Glabcensin T
Formula C30H42O12
Mw 594.26762681
CAS RN 224789-78-0
C_ID C00040983 ,
InChIKey SQHLQUKKSICXKX-QMCHVUSENA-N
InChICode InChI=1S/C30H42O12/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/h19-26,36-37H,1,10-12H2,2-9H3/t19-,20-,21+,22-,23+,24+,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)[C@H]3O)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