input word = C00034565

Metabolite InformationStructural formula
Name Kulokekahilide 1
Formula C53H74N6O10
Mw 954.54664263
CAS RN 415896-89-8
C_ID C00034565 ,
InChIKey HEQFVTIDWBACAH-NTVAZSOQNA-N
InChICode InChI=1S/C53H74N6O10/c1-9-19-38-35(7)52(66)68-42(31-37-22-14-11-15-23-37)48(62)59-29-18-26-41(59)53(67)69-45(33(4)5)51(65)56(8)44(32(2)3)50(64)58-28-17-25-40(58)47(61)55-43(34(6)30-36-20-12-10-13-21-36)49(63)57-27-16-24-39(57)46(60)54-38/h10-15,20-23,32-35,38-45H,9,16-19,24-31H2,1-8H3,(H,54,60)(H,55,61)/t34-,35-,38-,39+,40+,41+,42+,43-,44-,45+/m1/s1
SMILES C1CN2[C@@H](C1)C(=O)O[C@@H](C(C)C)C(=O)N([C@@H](C(=O)N1[C@H](C(=O)N[C@@H](C(=O)N3[C@H](C(=O)N[C@@H]([C@@H](C)C(=O)O[C@H](C2=O)Cc2ccccc2)CCC)CCC3)[C@H](C)Cc2ccccc2)CCC1)C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
AnimaliaAglajidaePhilinopsis speciosa Ref.
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OrganismPhilinopsis speciosa
ReferenceTan,Phytochem.,68,(2007),954