input word = C00009359

Metabolite InformationStructural formula
Name Acutissimin B
Formula C56H38O31
Mw 1206.1397045
CAS RN 108906-65-6
C_ID C00009359 ,
InChIKey IGVSILAHFPDUTO-XDZDXBTONA-N
InChICode InChI=1S/C56H38O31/c57-15-2-1-10(3-16(15)58)48-21(63)4-11-22(83-48)8-17(59)27(35(11)64)32-31-34-30(44(73)47(76)45(31)74)29-33-28(42(71)46(75)43(29)72)26-14(7-20(62)38(67)41(26)70)53(78)84-23-9-82-52(77)12-5-18(60)36(65)39(68)24(12)25-13(6-19(61)37(66)40(25)69)54(79)85-49(23)51(87-56(33)81)50(32)86-55(34)80/h1-3,5-8,21,23,32,48-51,57-76H,4,9H2/t21-,23+,32-,48-,49+,50-,51-/m0/s1
SMILES c1(c(c(c2c(c1)C(=O)O[C@@H]1[C@@H](COC(=O)c3cc(c(c(c23)O)O)O)OC(=O)c2cc(c(c(c2c2c(c(c(c3c2C(=O)O[C@@H]1[C@H]1OC(=O)c2c3c(c(c(c2[C@@H]1c1c(cc2c(c1O)C[C@@H]([C@@H](O2)c1ccc(c(c1)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeQuercus acutissima Ref.
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