input word = C00034566

Metabolite InformationStructural formula
Name Kulokekahilide 2
Formula C44H67N5O10
Mw 825.4887934
CAS RN 761444-83-1
C_ID C00034566 ,
InChIKey NOJSWHRVVVMCLD-ABZDCTAANA-N
InChICode InChI=1S/C44H67N5O10/c1-13-25(4)36-39(52)46-31(10)44(57)58-37(26(5)14-2)29(8)34(50)22-21-28(7)43(56)59-38(27(6)15-3)40(53)45-30(9)41(54)49(12)33(23-32-19-17-16-18-20-32)42(55)48(11)24-35(51)47-36/h14,16-21,25,27,29-31,33-34,36-38,50H,13,15,22-24H2,1-12H3,(H,45,53)(H,46,52)(H,47,51)/b26-14+,28-21+/t25-,27+,29-,30-,31+,33+,34-,36+,37+,38+/m0/s1
SMILES [C@H]1([C@H](OC(=O)[C@H](NC(=O)[C@H](NC(=O)CN(C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@H](OC(=O)/C(=C/C[C@@H]1O)/C)[C@@H](CC)C)C)C)Cc1ccccc1)C)[C@H](CC)C)C)/C(=C/C)/C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp L-Phe
Organism
Kingdom Family Species Reference
AnimaliaAglajidaePhilinopsis speciosa Ref.
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