input word = C00040906

Metabolite InformationStructural formula
Name Calcicolin B
(-)-Calcicolin B
Formula C24H32O8
Mw 448.209718
CAS RN 220997-67-1
C_ID C00040906 ,
InChIKey VPHPJXZKYUHFDK-WXWZWTOJNA-N
InChICode InChI=1S/C24H32O8/c1-10-13-7-14(31-11(2)25)18-23(6)16(28)8-15(27)22(4,5)19(23)17(29)21(32-12(3)26)24(18,9-13)20(10)30/h13-16,18-19,21,27-28H,1,7-9H2,2-6H3/t13-,14+,15+,16+,18+,19-,21+,23+,24+/m1/s1
SMILES C1[C@@H](C([C@@H]2[C@@]([C@H]1O)([C@H]1[C@@]3([C@H](C2=O)OC(=O)C)C[C@@H](C[C@@H]1OC(=O)C)C(=C)C3=O)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon adenantha Ref.
PlantaeLabiataeIsodon calcicola Ref.
zoom in