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=C1C(=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](OC(C)=O)[C@@H]3OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon angustifolius var. glabrescens Ref.
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