input word = C00037173

Metabolite InformationStructural formula
Name Gemin D
Formula C27H22O18
Mw 634.0806139
CAS RN 84744-46-7
C_ID C00037173 ,
InChIKey XKVYZLLWKHGKMT-UHFFFAOYNA-N
InChICode InChI=1S/C27H22O18/c28-5-14(33)23(44-25(40)7-1-10(29)18(35)11(30)2-7)24-15(34)6-43-26(41)8-3-12(31)19(36)21(38)16(8)17-9(27(42)45-24)4-13(32)20(37)22(17)39/h1-5,14-15,23-24,29-39H,6H2/t14-,15-,23-,24-/m0/s1
SMILES O=CC(O)C(OC(=O)c1cc(O)c(O)c(O)c1)C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OCC1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCornaceaeCamptotheca acuminata Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus officinalis Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeOnagraceaeOenothera tetraptera Ref.
PlantaeTamaricaceaeTamarix nilotica Ref.
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OrganismCamptotheca acuminata
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 1, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.