input word = C00052990

Metabolite InformationStructural formula
Name Cleroden J
Formula C28H26O12
Mw 554.1424263
CAS RN 1610738-15-2
C_ID C00052990
InChIKey INYTXVJLQDYRPS-PNJBCLBESA-N
InChICode InChI=1S/C28H26O12/c1-39-27(37)20(9-12-2-5-16(29)18(31)8-12)40-28(38)24-22(14-3-6-17(30)19(32)11-14)15-10-13(4-7-21(33)34)23(24)26(36)25(15)35/h2-8,10-11,15,20,22-24,26,29-32,36H,9H2,1H3,(H,33,34)/b7-4+/t15-,20+,22-,23+,24+,26-/m0/s1
SMILES COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)[C@H]1[C@H]2C(/C=C/C(=O)O)=C[C@H](C(=O)[C@H]2O)[C@@H]1c1ccc(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOrthosiphon stamineus Ref.
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