input word = C00045211

Metabolite InformationStructural formula
Name Adenanthin K
(-)-Adenanthin K
Formula C26H36O9
Mw 492.23593275
CAS RN 454703-18-5
C_ID C00045211 ,
InChIKey RQAVBFNKRIQRDR-YHXPNLDPNA-N
InChICode InChI=1S/C26H36O9/c1-11-15-8-16(33-12(2)27)20-25(7)18(34-13(3)28)9-17(30)24(5,6)21(25)19(31)22(32)26(20,10-15)23(11)35-14(4)29/h15-18,20-23,30,32H,1,8-10H2,2-7H3/t15-,16+,17+,18+,20+,21-,22+,23-,25+,26-/m1/s1
SMILES C1[C@@H](C([C@@H]2[C@@]([C@H]1OC(=O)C)([C@H]1[C@@]3([C@H](C2=O)O)C[C@@H](C[C@@H]1OC(=O)C)C(=C)[C@H]3OC(=O)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon adenantha Ref.
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