input word = C00064591

Metabolite InformationStructural formula
Name Dichotomin K
Formula C53H77N9O11
Mw 1015.57425437
CAS RN 870245-71-9
C_ID C00064591
InChIKey AXYWUYLSRAOXQF-CEGFXADCSA-N
InChICode InChI=1S/C53H77N9O11/c1-10-30(7)43-52(72)61-24-12-14-39(61)48(68)54-32(9)45(65)57-41(28(3)4)50(70)59-44(31(8)11-2)53(73)62-25-13-15-40(62)49(69)56-37(26-33-16-20-35(63)21-17-33)46(66)55-38(27-34-18-22-36(64)23-19-34)47(67)58-42(29(5)6)51(71)60-43/h16-23,28-32,37-44,63-64H,10-15,24-27H2,1-9H3,(H,54,68)(H,55,66)(H,56,69)(H,57,65)(H,58,67)(H,59,70)(H,60,71)/t30-,31-,32-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
SMILES CCC(C)C1NC(=O)C(C(C)C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C2CCCN2C(=O)C(C(C)CC)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C2CCCN2C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeStellaria dichotoma Ref.
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OrganismStellaria dichotoma
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 3, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.