trehalose-trans-keto-di-mycolate
Chemical Formula:
C184H354O17
Molecular Weight:
2838.81 Daltons
Monoisotopic Mass:
2836.6836099391003 Daltons
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OCC3(C(O)C(O)C(O)C(OC2(C(O)C(O)C(O)C(COC(=O)C(CCCCCCCCCCCCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCC1(CC1C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCC))O2))O3))C(O)CCCCCCCCCCCCCCCCC4(CC4C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCC)
InChI:
1S/C184H354O17/c1-9-13-17-21-25-29-33-37-41-43-45-47-49-51-53-55-57-61-77-89-101-113-125-137-149-165(171(187)153-141-129-117-105-93-81-69-65-75-87-99-111-123-135-147-163-155-167(163)159(5)143-131-119-107-95-83-71-63-67-79-91-103-115-127-139-151-169(185)161(7)145-133-121-109-97-85-73-59-39-35-31-27-23-19-15-11-3)181(195)197-157-173-175(189)177(191)179(193)183(199-173)201-184-180(194)178(192)176(190)174(200-184)158-198-182(196)166(150-138-126-114-102-90-78-62-58-56-54-52-50-48-46-44-42-38-34-30-26-22-18-14-10-2)172(188)154-142-130-118-106-94-82-70-66-76-88-100-112-124-136-148-164-156-168(164)160(6)144-132-120-108-96-84-72-64-68-80-92-104-116-128-140-152-170(186)162(8)146-134-122-110-98-86-74-60-40-36-32-28-24-20-16-12-4/h159-168,171-180,183-184,187-194H,9-158H2,1-8H3/t159?,160?,161?,162?,163?,164?,165?,166?,167?,168?,171-,172-,173-,174-,175-,176-,177+,178+,179-,180-,183-,184-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD1G-855
PubChem (CID):
122706115
Seed:
cpd26596
MetaNetX:
MNXM22163