input word = C00049457

Metabolite InformationStructural formula
Name Heptafuhalol A octadecaacetate
Formula C78H66O42
Mw 1674.30286624
CAS RN 64806-75-3
C_ID C00049457 ,
InChIKey KWADOCDNWVVLBQ-UHFFFAOYSA-N
InChICode InChI=1S/C78H66O42/c1-31(79)97-49-19-56(100-34(4)82)69(57(20-49)101-35(5)83)116-51-23-60(104-38(8)86)71(61(24-51)105-39(9)87)119-67-30-65(109-43(13)91)74(112-46(16)94)78(114-48(18)96)76(67)118-53-27-62(106-40(10)88)72(63(28-53)107-41(11)89)120-66-29-64(108-42(12)90)73(111-45(15)93)77(113-47(17)95)75(66)117-52-25-58(102-36(6)84)70(59(26-52)103-37(7)85)115-50-21-54(98-32(2)80)68(110-44(14)92)55(22-50)99-33(3)81/h19-30H,1-18H3
SMILES c1(c(c(cc(c1Oc1cc(c(c(c1)OC(=O)C)Oc1cc(c(c(c1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)Oc1c(cc(cc1OC(=O)C)Oc1c(c(c(cc1Oc1c(cc(cc1OC(=O)C)Oc1c(cc(cc1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataSargassaceaeCarpophyllum angustifolium Ref.
ChromalveolataSargassaceaeHalidrys siliquosa Ref.
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