input word = C00037876

Metabolite InformationStructural formula
Name Taibaijaponicain A
(-)-Taibaijaponicain A
Formula C21H30O7
Mw 394.19915331
CAS RN 382162-89-2
C_ID C00037876 ,
InChIKey URACXFCMOSKOEL-VBXZDBMQNA-N
InChICode InChI=1S/C21H30O7/c1-19(2)5-4-13-21(9-27-17(24)15(19)21)14-12(22)6-10-7-20(14,18(25)28-13)16(23)11(10)8-26-3/h10-15,17,22,24H,4-9H2,1-3H3/t10-,11-,12+,13+,14-,15?,17-,20+,21?/m1/s1
SMILES COC[C@H]1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon japonica Ref.
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OrganismIsodon japonica
ReferenceLi,Phytochem.,58,(2001),543