input word = C00057536

Metabolite InformationStructural formula
Name Retrocalamin
Formula C24H30O9
Mw 462.18898256
CAS RN 74729-98-9
C_ID C00057536
InChIKey HMNKPIJMXBZMJF-ZLOQDTKLSA-N
InChICode InChI=1S/C24H30O9/c1-21(15(26)9-16(27)30-4)10-13(25)17(28)23(3)14(21)5-7-22(2)18(12-6-8-31-11-12)32-20(29)19-24(22,23)33-19/h6,8,11,14-15,17-19,26,28H,5,7,9-10H2,1-4H3/t14-,15?,17?,18+,19-,21+,22+,23+,24-/m1/s1
SMILES [H][C@](O1)(C2=COC=C2)[C@]([C@]3(O4)[C@@]4([H])C1=O)(C)CC[C@]([C@@]3(C)C5O)([H])[C@](C(CC(OC)=O)O)(C)CC5=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus reticulata Ref.
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