input word = C00040965

Metabolite InformationStructural formula
Name Glabcensin B
(-)-Glabcensin B
Formula C28H38O10
Mw 534.24649744
CAS RN 196607-46-2
C_ID C00040965 ,
InChIKey WTKLXJQSMIPUJJ-VXBWUSIPNA-N
InChICode InChI=1S/C28H38O10/c1-12-17-9-18(35-13(2)29)21-27(8)11-19(36-14(3)30)24(34)26(6,7)22(27)20(37-15(4)31)25(38-16(5)32)28(21,10-17)23(12)33/h17-22,24-25,34H,1,9-11H2,2-8H3/t17-,18+,19+,20-,21+,22-,24+,25+,27-,28+/m1/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@@H](C[C@@H]1OC(=O)C)C(=C)C3=O)C)(C)C)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon angustifolius var. glabrescens Ref.
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