input word = C00040907

Metabolite InformationStructural formula
Name Calcicolin C
(-)-Calcicolin C
Formula C24H34O7
Mw 434.23045344
CAS RN 220997-68-2
C_ID C00040907 ,
InChIKey ABAWRQQNGPQKMG-RXBJQPRBNA-N
InChICode InChI=1S/C24H34O7/c1-11-14-7-16(30-12(2)25)20-23(6)18(31-13(3)26)8-17(28)22(4,5)19(23)15(27)10-24(20,9-14)21(11)29/h14-20,27-28H,1,7-10H2,2-6H3/t14-,15+,16+,17+,18+,19-,20+,23-,24+/m1/s1
SMILES C1[C@@H](C([C@@H]2[C@@]([C@H]1OC(=O)C)([C@H]1[C@@]3(C[C@@H]2O)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 calcicola Ref.
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