input word = C00054982

Metabolite InformationStructural formula
Name Arecatannin A3
Formula C75H62O30
Mw 1442.33259065
CAS RN 86588-85-4
C_ID C00054982
InChIKey QRFZGLTZLZZHCM-NWYMYRDLSA-N
InChICode InChI=1S/C75H62O30/c76-28-16-41(88)51-50(17-28)101-68(24-2-7-31(78)37(84)12-24)63(97)59(51)53-43(90)20-45(92)55-61(65(99)70(103-73(53)55)26-4-9-33(80)39(86)14-26)57-47(94)22-48(95)58-62(66(100)71(105-75(57)58)27-5-10-34(81)40(87)15-27)56-46(93)21-44(91)54-60(64(98)69(104-74(54)56)25-3-8-32(79)38(85)13-25)52-42(89)19-35(82)29-18-49(96)67(102-72(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,49,59-71,76-100H,18H2/t49-,59-,60+,61-,62+,63-,64-,65-,66-,67-,68-,69-,70-,71-/m1/s1
SMILES OC1=CC([C@@H]2[C@H](O)CC3=C(O)C=C(O)C([C@H]4C5=C(O)C=C(O)C([C@H]6C7=C(O)C=C(O)C([C@H]8C9=C(O)C=C(O)C([C@H]%10C%11=C(O)C=C(O)C=C%11O[C@H](C%12=CC=C(O)C(O)=C%12)[C@@H]%10O)=C9O[C@H](C%13=CC=C(O)C(O)=C%13)[C@@H]8O)=C7O[C@H](C%14=CC=C(O)C(O)=C%14)[C@@H]6O)=C5O[C@H](C%15=CC=C(O)C(O)=C%15)[C@@H]4O)=C3O2)=CC=C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePalmaeAreca catechu Ref.
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