input word = C00009371

Metabolite InformationStructural formula
Name Mongolicin B
Formula C62H46O37
Mw 1382.17179249
CAS RN 118964-14-0
C_ID C00009371 ,
InChIKey LPRURUPUMFENRA-YKRCJCBRNA-N
InChICode InChI=1S/C62H46O37/c63-8-21-38(73)48(83)51(86)62(95-21)99-55-47(82)27-20(93-52(55)10-1-2-14(64)15(65)3-10)7-16(66)26(39(27)74)32-31-34-30(45(80)50(85)46(31)81)29-33-28(43(78)49(84)44(29)79)25-13(6-19(69)37(72)42(25)77)58(88)94-22-9-92-57(87)11-4-17(67)35(70)40(75)23(11)24-12(5-18(68)36(71)41(24)76)59(89)96-53(22)56(98-61(33)91)54(32)97-60(34)90/h1-7,21-22,32,38,48,51-56,62-81,83-86H,8-9H2/t21-,22-,32+,38-,48+,51-,52+,53-,54+,55-,56+,62+/m1/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(=O)[C@H]([C@@H](O2)c1cc(c(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)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 mongolica Ref.
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