input word = C00063920

Metabolite InformationStructural formula
Name Ruberythric acid
Formula C25H26O13
Mw 534.13734092
CAS RN 152-84-1
C_ID C00063920
InChIKey GCGGSVAWTYHZBI-CVQRFVFPSA-N
InChICode InChI=1S/C25H26O13/c26-12-7-35-24(22(33)18(12)29)36-8-14-20(31)21(32)23(34)25(38-14)37-13-6-5-11-15(19(13)30)17(28)10-4-2-1-3-9(10)16(11)27/h1-6,12,14,18,20-26,29-34H,7-8H2/t12-,14-,18+,20-,21+,22-,23-,24+,25-/m1/s1
SMILES O=C1c2ccccc2C(=O)c2c1ccc(OC1OC(COC3OCC(O)C(O)C3O)C(O)C(O)C1O)c2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMorinda citrifolia Ref.
PlantaeRubiaceaeMorinda officinalis Ref.
PlantaeRubiaceaeRubia tinctorum Ref.
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OrganismRubia tinctorum
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 3, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.