input word = C00064074

Metabolite InformationStructural formula
Name Microstigmin A
Formula C30H28O13
Mw 596.15299098
CAS RN 189188-74-7
C_ID C00064074
InChIKey PGLMEILRYMLUIO-MYXUTVQFSA-N
InChICode InChI=1S/C30H28O13/c31-10-13-7-14-22(19(36)9-13)27(39)25-17(34)5-4-16(33)24(25)23(14)30-29(41)28(40)26(38)20(43-30)11-42-21(37)6-2-12-1-3-15(32)18(35)8-12/h1-9,20,23,26,28-36,38,40-41H,10-11H2/b6-2+/t20-,23-,26-,28+,29-,30+/m1/s1
SMILES O=C(C=Cc1ccc(O)c(O)c1)OCC1OC(C2c3cc(CO)cc(O)c3C(=O)c3c(O)ccc(O)c32)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeAloe microstigma Ref.
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OrganismAloe microstigma
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 1, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.