input word = C00041911

Metabolite InformationStructural formula
Name Taibaihenryiin A
Formula C22H30O7
Mw 406.19915331
CAS RN 398129-59-4
C_ID C00041911 ,
InChIKey YJYNZCZZOPKSEI-DHBBKWLSNA-N
InChICode InChI=1S/C22H30O7/c1-10-12-7-13(29-11(2)23)15-20-9-28-22(27,21(15,8-12)17(10)25)18(26)16(20)19(3,4)6-5-14(20)24/h12-16,18,24,26-27H,1,5-9H2,2-4H3/t12-,13-,14+,15+,16-,18+,20+,21+,22-/m1/s1
SMILES [C@H]1([C@]23[C@@H](C(CC1)(C)C)[C@@H]([C@]([C@@]14[C@H]2[C@@H](C[C@@H](C(=C)C1=O)C4)OC(=O)C)(OC3)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon parvifolius Ref.
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