input word = C00026787

Metabolite InformationStructural formula
Name Hemiasterlin B
Formula C28H42N4O4
Mw 498.32060586
CAS RN 169181-25-3
C_ID C00026787 ,
InChIKey STWMUTMEDIGCPZ-XWUQUNEYNA-N
InChICode InChI=1S/C28H42N4O4/c1-16(2)22(14-18(5)27(35)36)32(9)26(34)23(17(3)4)31-25(33)24(29-8)28(6,7)20-15-30-21-13-11-10-12-19(20)21/h10-17,22-24,29-30H,1-9H3,(H,31,33)(H,35,36)/b18-14+/t22-,23+,24-/m1/s1
SMILES CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(C)C(=O)O)C(C)C)C(C)C)C(C)(C)c1c[nH]c2ccccc12
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
AnimaliaAxinellidaeCymbastela sp. Ref.
--Hemiasterella minor Ref.
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