input word = C00064097

Metabolite InformationStructural formula
Name Dichotomin I
Formula C49H70N8O10
Mw 930.52149052
CAS RN 193672-87-6
C_ID C00064097
InChIKey DZLKWHWDMKRDEX-YXAVWQKNSA-N
InChICode InChI=1S/C49H70N8O10/c1-8-29(6)40-46(64)53-39(28(4)5)49(67)57-23-13-17-38(57)45(63)55-41(30(7)58)47(65)51-35(25-31-14-10-9-11-15-31)42(60)52-36(26-32-18-20-33(59)21-19-32)48(66)56-22-12-16-37(56)44(62)50-34(24-27(2)3)43(61)54-40/h9-11,14-15,18-21,27-30,34-41,58-59H,8,12-13,16-17,22-26H2,1-7H3,(H,50,62)(H,51,65)(H,52,60)(H,53,64)(H,54,61)(H,55,63)/t29-,30+,34-,35-,36-,37-,38?,39-,40-,41-/m0/s1
SMILES CCC(C)C1NC(=O)C(CC(C)C)NC(=O)C2CCCN2C(=O)C(Cc2ccc(O)cc2)NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)O)NC(=O)C2CCCN2C(=O)C(C(C)C)NC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeStellaria dichotoma Ref.
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