input word = C00018014

Metabolite InformationStructural formula
Name SC 28763
Formula C34H30O13
Mw 646.16864105
CAS RN 55051-93-9
C_ID C00018014 ,
InChIKey OSOGRLZVVUKNOT-UHFFFAOYNA-N
InChICode InChI=1S/C34H30O13/c1-13(35)5-18-8-14-6-16-10-20(43-2)27(31(39)23(16)29(37)25(14)33(41)46-18)28-21(44-3)11-17-7-15-9-19(12-22(36)45-4)47-34(42)26(15)30(38)24(17)32(28)40/h6-7,10-11,18-19,37-40H,5,8-9,12H2,1-4H3/t18-,19-/m0/s1
SMILES COC(=O)CC1Cc2cc3cc(OC)c(-c4c(OC)cc5cc6c(c(O)c5c4O)C(=O)OC(CC(C)=O)C6)c(O)c3c(O)c2C(=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Spicaria divaricata NRRL 5771 Ref.
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